##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_audit_creation_method     SHELXL-97
_chemical_name_systematic
;
Bromido(meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-
1,7-diene)copper(II) bromide dihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C16 H32 Br Cu N4 +, Br -, 2(H2 O)'
_chemical_formula_sum     'C16 H36 Br2 Cu N4 O2'
_chemical_formula_iupac     '[Cu Br (C16 H32 N4)] Br, 2H2 O'
_chemical_formula_weight     539.85
_chemical_melting_point     ?
_symmetry_cell_setting     monoclinic
_symmetry_space_group_name_H-M     'P 21/c'
_symmetry_space_group_name_Hall     '-P 2ybc'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     17.8747(16)
_cell_length_b     15.5118(13)
_cell_length_c     17.2528(19)
_cell_angle_alpha     90.00
_cell_angle_beta     112.0730(10)
_cell_angle_gamma     90.00
_cell_volume     4433.0(7)
_cell_formula_units_Z     8
_cell_measurement_reflns_used     3476
_cell_measurement_theta_min     2.32
_cell_measurement_theta_max     27.52
_cell_measurement_temperature     298(2)
_exptl_crystal_description     Prism
_exptl_crystal_colour     green
_exptl_crystal_size_max     0.47
_exptl_crystal_size_mid     0.42
_exptl_crystal_size_min     0.32
_exptl_crystal_density_diffrn     1.618
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     2200
_exptl_absorpt_coefficient_mu     4.607
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(CrystalClear; Rigaku, 2005)'
_exptl_absorpt_correction_T_min     0.2207
_exptl_absorpt_correction_T_max     0.3203
_exptl_special_details
;
;
_diffrn_ambient_temperature     298(2)
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_source     'fine-focus sealed tube'
_diffrn_radiation_monochromator     graphite
_diffrn_measurement_device_type     'Rigaku SCXmini'
_diffrn_measurement_method     'Thin-slice ω'
_diffrn_detector_area_resol_mean     13.6612
_diffrn_reflns_number     7814
_diffrn_reflns_av_R_equivalents     0.1005
_diffrn_reflns_av_sigmaI/netI     0.1411
_diffrn_reflns_theta_min     1.80
_diffrn_reflns_theta_max     25.02
_diffrn_reflns_theta_full     25.00
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.997
_diffrn_reflns_limit_h_min     -21
_diffrn_reflns_limit_h_max     19
_diffrn_reflns_limit_k_min     0
_diffrn_reflns_limit_k_max     18
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     20
_diffrn_standards_number     0
_diffrn_standards_interval_count     ?
_diffrn_standards_interval_time     ?
_diffrn_standards_decay_%     ?
_refine_special_details
;
Refinement of F² against ALL reflections. The weighted R-factor
wR and goodness of fit S are based on F², conventional
R-factors R are based on F, with F set to zero for
negative F². The threshold expression of F² >
σ(F²) is used only for calculating R-factors(gt) etc.
and is not relevant to the choice of reflections for refinement.
R-factors based on F² are statistically about twice as large
as those based on F, and R- factors based on ALL data will be
even larger.
;
_reflns_number_total     7814
_reflns_number_gt     3668
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1414
_refine_ls_R_factor_gt     0.0484
_refine_ls_wR_factor_gt     0.0777
_refine_ls_wR_factor_ref     0.0991
_refine_ls_goodness_of_fit_ref     0.872
_refine_ls_restrained_S_all     0.871
_refine_ls_number_reflns     7814
_refine_ls_number_parameters     487
_refine_ls_number_restraints     12
_refine_ls_hydrogen_treatment     mixed
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.0269P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary     difmap
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     0.670
_refine_diff_density_min     -0.823
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     ?
loop_
    _atom_type_symbol
    _atom_type_description
    _atom_type_scat_dispersion_real
    _atom_type_scat_dispersion_imag
    _atom_type_scat_source
    'C' 'C' 0.0033 0.0016
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'H' 'H' 0.0000 0.0000
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Br' 'Br' -0.2901 2.4595
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Cu' 'Cu' 0.3201 1.2651
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'N' 'N' 0.0061 0.0033
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'CrystalClear (Rigaku, 2005)'
_computing_cell_refinement     'CrystalClear (Rigaku, 2005)'
_computing_data_reduction     'CrystalClear (Rigaku, 2005)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics     'SHELXTL (Sheldrick, 2008)'
_computing_publication_material     'SHELXTL (Sheldrick, 2008)'
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_refinement_flags
    _atom_site_occupancy
    _atom_site_symmetry_multiplicity
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Br Br1 0.68214(4) 0.55475(5) 0.65807(5) 0.0576(2) Uani d . 1 1 . .
    Br Br2 0.56344(4) 0.42590(5) 0.83988(5) 0.0558(2) Uani d . 1 1 . .
    Br Br3 0.10334(5) 0.61103(5) 0.85539(5) 0.0623(3) Uani d . 1 1 . .
    Br Br4 0.14785(5) 0.40766(5) 0.65419(5) 0.0564(2) Uani d . 1 1 . .
    Cu Cu1 0.85587(5) 0.50884(4) 0.73900(5) 0.0322(2) Uani d . 1 1 . .
    Cu Cu2 0.39711(4) 0.48668(4) 0.76047(5) 0.0311(2) Uani d . 1 1 . .
    O O1W 0.6265(4) 0.3601(3) 0.6868(4) 0.0777(17) Uani d D 1 1 . .
    H H1W1 0.638(5) 0.408(3) 0.675(5) 0.117 Uiso d D 1 1 . .
    H H1W2 0.608(5) 0.370(5) 0.723(4) 0.117 Uiso d D 1 1 . .
    O O2W 0.6219(4) 0.6163(3) 0.8101(5) 0.097(2) Uani d D 1 1 . .
    H H2W1 0.627(6) 0.578(4) 0.843(5) 0.145 Uiso d D 1 1 . .
    H H2W2 0.644(6) 0.602(6) 0.779(5) 0.145 Uiso d D 1 1 . .
    O O3W 0.0601(5) 0.4038(4) 0.7992(5) 0.0903(19) Uani d D 1 1 . .
    H H3W1 0.075(6) 0.408(5) 0.761(4) 0.135 Uiso d D 1 1 . .
    H H3W2 0.058(6) 0.451(3) 0.817(6) 0.135 Uiso d D 1 1 . .
    O O4W 0.1901(4) 0.6135(3) 0.7066(4) 0.0819(18) Uani d D 1 1 . .
    H H4W1 0.165(5) 0.609(5) 0.737(5) 0.123 Uiso d D 1 1 . .
    H H4W2 0.191(6) 0.566(3) 0.686(5) 0.123 Uiso d D 1 1 . .
    N N1 0.8212(3) 0.4034(3) 0.7847(3) 0.0315(13) Uani d . 1 1 . .
    H H1 0.7663 0.4045 0.7627 0.038 Uiso d R 1 1 . .
    N N2 0.8619(3) 0.4314(3) 0.6499(3) 0.0300(13) Uani d . 1 1 . .
    N N3 0.9094(3) 0.6081(3) 0.7058(3) 0.0307(13) Uani d . 1 1 . .
    H H3 0.9628 0.6033 0.7384 0.037 Uiso d R 1 1 . .
    N N4 0.8610(3) 0.5833(3) 0.8355(3) 0.0290(13) Uani d . 1 1 . .
    N N5 0.3402(3) 0.3978(3) 0.8025(3) 0.0316(13) Uani d . 1 1 . .
    H H5 0.2872 0.4026 0.7689 0.038 Uiso d R 1 1 . .
    N N6 0.3864(3) 0.4004(3) 0.6719(3) 0.0305(13) Uani d . 1 1 . .
    N N7 0.4310(3) 0.5837(3) 0.7016(3) 0.0297(13) Uani d . 1 1 . .
    H H7 0.4859 0.5822 0.7214 0.036 Uiso d R 1 1 . .
    N N8 0.3920(3) 0.5763(3) 0.8397(3) 0.0283(13) Uani d . 1 1 . .
    C C1 0.8070(4) 0.3185(4) 0.9007(4) 0.056(2) Uani d . 1 1 . .
    H H1A 0.7496 0.3190 0.8707 0.084 Uiso calc R 1 1 . .
    H H1B 0.8186 0.3187 0.9597 0.084 Uiso calc R 1 1 . .
    H H1C 0.8295 0.2676 0.8862 0.084 Uiso calc R 1 1 . .
    C C2 0.8440(4) 0.3981(4) 0.8775(4) 0.0353(17) Uani d . 1 1 . .
    C C3 0.8082(4) 0.4773(4) 0.9036(4) 0.0356(17) Uani d . 1 1 . .
    H H3A 0.7506 0.4769 0.8714 0.043 Uiso calc R 1 1 . .
    H H3B 0.8154 0.4696 0.9618 0.043 Uiso calc R 1 1 . .
    C C4 0.8388(4) 0.5647(4) 0.8955(4) 0.0360(18) Uani d . 1 1 . .
    C C5 0.8401(4) 0.6287(4) 0.9606(4) 0.056(2) Uani d . 1 1 . .
    H H5A 0.8697 0.6789 0.9563 0.083 Uiso calc R 1 1 . .
    H H5B 0.8657 0.6035 1.0151 0.083 Uiso calc R 1 1 . .
    H H5C 0.7859 0.6449 0.9525 0.083 Uiso calc R 1 1 . .
    C C6 0.9357(4) 0.3966(4) 0.9225(4) 0.050(2) Uani d . 1 1 . .
    H H6A 0.9562 0.3418 0.9135 0.075 Uiso calc R 1 1 . .
    H H6B 0.9493 0.4051 0.9813 0.075 Uiso calc R 1 1 . .
    H H6C 0.9592 0.4417 0.9010 0.075 Uiso calc R 1 1 . .
    C C7 0.9612(4) 0.6862(4) 0.6111(4) 0.049(2) Uani d . 1 1 . .
    H H7A 0.9416 0.7402 0.6230 0.074 Uiso calc R 1 1 . .
    H H7B 0.9611 0.6875 0.5554 0.074 Uiso calc R 1 1 . .
    H H7C 1.0152 0.6767 0.6504 0.074 Uiso calc R 1 1 . .
    C C8 0.9063(4) 0.6128(4) 0.6181(4) 0.0257(15) Uani d . 1 1 . .
    C C9 0.9413(4) 0.5281(3) 0.6002(4) 0.0354(17) Uani d . 1 1 . .
    H H9A 0.9440 0.5334 0.5453 0.042 Uiso calc R 1 1 . .
    H H9B 0.9965 0.5239 0.6402 0.042 Uiso calc R 1 1 . .
    C C10 0.9008(4) 0.4439(4) 0.6020(4) 0.0301(16) Uani d . 1 1 . .
    C C11 0.9109(4) 0.3765(4) 0.5437(4) 0.056(2) Uani d . 1 1 . .
    H H11A 0.8869 0.3233 0.5513 0.083 Uiso calc R 1 1 . .
    H H11B 0.9673 0.3676 0.5558 0.083 Uiso calc R 1 1 . .
    H H11C 0.8848 0.3955 0.4869 0.083 Uiso calc R 1 1 . .
    C C12 0.8204(3) 0.6267(4) 0.5564(4) 0.0390(17) Uani d . 1 1 . .
    H H12A 0.7851 0.5864 0.5678 0.059 Uiso calc R 1 1 . .
    H H12B 0.8182 0.6180 0.5005 0.059 Uiso calc R 1 1 . .
    H H12C 0.8037 0.6844 0.5619 0.059 Uiso calc R 1 1 . .
    C C13 0.8442(4) 0.3282(4) 0.7449(4) 0.0408(18) Uani d . 1 1 . .
    H H13A 0.8147 0.2774 0.7499 0.049 Uiso calc R 1 1 . .
    H H13B 0.9015 0.3166 0.7725 0.049 Uiso calc R 1 1 . .
    C C14 0.8244(4) 0.3485(4) 0.6540(4) 0.0407(18) Uani d . 1 1 . .
    H H14A 0.8453 0.3038 0.6283 0.049 Uiso calc R 1 1 . .
    H H14B 0.7664 0.3519 0.6244 0.049 Uiso calc R 1 1 . .
    C C15 0.8811(4) 0.6858(4) 0.7374(4) 0.0436(19) Uani d . 1 1 . .
    H H15A 0.8249 0.6970 0.7033 0.052 Uiso calc R 1 1 . .
    H H15B 0.9125 0.7357 0.7341 0.052 Uiso calc R 1 1 . .
    C C16 0.8905(4) 0.6707(4) 0.8273(4) 0.0445(19) Uani d . 1 1 . .
    H H16A 0.9468 0.6761 0.8637 0.053 Uiso calc R 1 1 . .
    H H16B 0.8598 0.7135 0.8439 0.053 Uiso calc R 1 1 . .
    C C17 0.2880(4) 0.3393(4) 0.9064(4) 0.047(2) Uani d . 1 1 . .
    H H17A 0.2335 0.3470 0.8675 0.071 Uiso calc R 1 1 . .
    H H17B 0.2898 0.3457 0.9624 0.071 Uiso calc R 1 1 . .
    H H17C 0.3064 0.2827 0.8997 0.071 Uiso calc R 1 1 . .
    C C18 0.3426(4) 0.4072(4) 0.8898(4) 0.0311(17) Uani d . 1 1 . .
    C C19 0.3091(4) 0.4961(4) 0.8974(4) 0.0382(18) Uani d . 1 1 . .
    H H19A 0.2539 0.4982 0.8570 0.046 Uiso calc R 1 1 . .
    H H19B 0.3063 0.4992 0.9524 0.046 Uiso calc R 1 1 . .
    C C20 0.3499(4) 0.5763(4) 0.8861(4) 0.0319(17) Uani d . 1 1 . .
    C C21 0.3361(4) 0.6534(4) 0.9306(4) 0.053(2) Uani d . 1 1 . .
    H H21A 0.3692 0.6494 0.9890 0.080 Uiso calc R 1 1 . .
    H H21B 0.2803 0.6558 0.9237 0.080 Uiso calc R 1 1 . .
    H H21C 0.3500 0.7046 0.9077 0.080 Uiso calc R 1 1 . .
    C C22 0.4281(4) 0.3979(4) 0.9541(4) 0.0451(19) Uani d . 1 1 . .
    H H22A 0.4460 0.3396 0.9542 0.068 Uiso calc R 1 1 . .
    H H22B 0.4289 0.4122 1.0086 0.068 Uiso calc R 1 1 . .
    H H22C 0.4634 0.4362 0.9402 0.068 Uiso calc R 1 1 . .
    C C23 0.4381(4) 0.6507(4) 0.5737(4) 0.058(2) Uani d . 1 1 . .
    H H23A 0.4141 0.7040 0.5806 0.087 Uiso calc R 1 1 . .
    H H23B 0.4264 0.6410 0.5154 0.087 Uiso calc R 1 1 . .
    H H23C 0.4955 0.6534 0.6034 0.087 Uiso calc R 1 1 . .
    C C24 0.4033(4) 0.5764(4) 0.6086(4) 0.0347(17) Uani d . 1 1 . .
    C C25 0.4387(4) 0.4924(4) 0.5897(4) 0.0379(17) Uani d . 1 1 . .
    H H25A 0.4289 0.4921 0.5305 0.045 Uiso calc R 1 1 . .
    H H25B 0.4967 0.4945 0.6195 0.045 Uiso calc R 1 1 . .
    C C26 0.4094(4) 0.4076(4) 0.6102(4) 0.0332(17) Uani d . 1 1 . .
    C C27 0.4104(4) 0.3350(4) 0.5538(4) 0.050(2) Uani d . 1 1 . .
    H H27A 0.4651 0.3170 0.5662 0.076 Uiso calc R 1 1 . .
    H H27B 0.3869 0.3537 0.4967 0.076 Uiso calc R 1 1 . .
    H H27C 0.3798 0.2875 0.5622 0.076 Uiso calc R 1 1 . .
    C C28 0.3121(4) 0.5763(4) 0.5687(4) 0.048(2) Uani d . 1 1 . .
    H H28A 0.2908 0.5376 0.5987 0.072 Uiso calc R 1 1 . .
    H H28B 0.2955 0.5579 0.5116 0.072 Uiso calc R 1 1 . .
    H H28C 0.2923 0.6335 0.5705 0.072 Uiso calc R 1 1 . .
    C C29 0.3663(4) 0.3148(4) 0.7806(4) 0.048(2) Uani d . 1 1 . .
    H H29A 0.3339 0.2686 0.7897 0.058 Uiso calc R 1 1 . .
    H H29B 0.4224 0.3043 0.8156 0.058 Uiso calc R 1 1 . .
    C C30 0.3563(4) 0.3175(4) 0.6898(4) 0.0461(19) Uani d . 1 1 . .
    H H30A 0.3861 0.2705 0.6779 0.055 Uiso calc R 1 1 . .
    H H30B 0.2997 0.3108 0.6545 0.055 Uiso calc R 1 1 . .
    C C31 0.4096(4) 0.6656(4) 0.7330(4) 0.0411(18) Uani d . 1 1 . .
    H H31A 0.3523 0.6771 0.7053 0.049 Uiso calc R 1 1 . .
    H H31B 0.4393 0.7133 0.7219 0.049 Uiso calc R 1 1 . .
    C C32 0.4314(4) 0.6557(3) 0.8265(4) 0.0370(17) Uani d . 1 1 . .
    H H32A 0.4895 0.6513 0.8550 0.044 Uiso calc R 1 1 . .
    H H32B 0.4128 0.7053 0.8484 0.044 Uiso calc R 1 1 . .
_geom_special_details
;
All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes)
are estimated using the full covariance matrix. The cell e.s.d.'s are taken
into account individually in the estimation of e.s.d.'s in distances, angles
and torsion angles; correlations between e.s.d.'s in cell parameters are only
used when they are defined by crystal symmetry. An approximate (isotropic)
treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s.
planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Br1 Cu1 . 2.9734(11) ?
    Br2 Cu2 . 2.9229(11) ?
    Cu1 N2 . 1.986(5) ?
    Cu1 N4 . 2.000(5) ?
    Cu1 N3 . 2.007(4) ?
    Cu1 N1 . 2.011(4) ?
    Cu2 N8 . 1.977(5) ?
    Cu2 N6 . 1.986(5) ?
    Cu2 N5 . 2.004(5) ?
    Cu2 N7 . 2.032(4) ?
    O1W H1W1 . 0.824(19) ?
    O1W H1W2 . 0.83(2) ?
    O2W H2W1 . 0.80(2) ?
    O2W H2W2 . 0.81(2) ?
    O3W H3W1 . 0.81(2) ?
    O3W H3W2 . 0.80(2) ?
    O4W H4W1 . 0.81(2) ?
    O4W H4W2 . 0.813(19) ?
    N1 C13 . 1.488(7) ?
    N1 C2 . 1.499(7) ?
    N1 H1 . 0.9100 ?
    N2 C10 . 1.279(7) ?
    N2 C14 . 1.464(7) ?
    N3 C15 . 1.488(7) ?
    N3 C8 . 1.496(7) ?
    N3 H3 . 0.9108 ?
    N4 C4 . 1.273(7) ?
    N4 C16 . 1.479(7) ?
    N5 C29 . 1.465(7) ?
    N5 C18 . 1.498(7) ?
    N5 H5 . 0.9089 ?
    N6 C26 . 1.282(7) ?
    N6 C30 . 1.471(7) ?
    N7 C31 . 1.486(7) ?
    N7 C24 . 1.494(7) ?
    N7 H7 . 0.9101 ?
    N8 C20 . 1.287(7) ?
    N8 C32 . 1.479(7) ?
    C1 C2 . 1.523(8) ?
    C1 H1A . 0.9600 ?
    C1 H1B . 0.9600 ?
    C1 H1C . 0.9600 ?
    C2 C6 . 1.528(8) ?
    C2 C3 . 1.528(8) ?
    C3 C4 . 1.488(8) ?
    C3 H3A . 0.9700 ?
    C3 H3B . 0.9700 ?
    C4 C5 . 1.493(8) ?
    C5 H5A . 0.9600 ?
    C5 H5B . 0.9600 ?
    C5 H5C . 0.9600 ?
    C6 H6A . 0.9600 ?
    C6 H6B . 0.9600 ?
    C6 H6C . 0.9600 ?
    C7 C8 . 1.538(7) ?
    C7 H7A . 0.9600 ?
    C7 H7B . 0.9600 ?
    C7 H7C . 0.9600 ?
    C8 C12 . 1.518(7) ?
    C8 C9 . 1.536(7) ?
    C9 C10 . 1.499(8) ?
    C9 H9A . 0.9700 ?
    C9 H9B . 0.9700 ?
    C10 C11 . 1.509(8) ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
    C12 H12A . 0.9600 ?
    C12 H12B . 0.9600 ?
    C12 H12C . 0.9600 ?
    C13 C14 . 1.506(7) ?
    C13 H13A . 0.9700 ?
    C13 H13B . 0.9700 ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 C16 . 1.515(8) ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C16 H16A . 0.9700 ?
    C16 H16B . 0.9700 ?
    C17 C18 . 1.535(8) ?
    C17 H17A . 0.9600 ?
    C17 H17B . 0.9600 ?
    C17 H17C . 0.9600 ?
    C18 C22 . 1.522(8) ?
    C18 C19 . 1.529(8) ?
    C19 C20 . 1.491(8) ?
    C19 H19A . 0.9700 ?
    C19 H19B . 0.9700 ?
    C20 C21 . 1.491(8) ?
    C21 H21A . 0.9600 ?
    C21 H21B . 0.9600 ?
    C21 H21C . 0.9600 ?
    C22 H22A . 0.9600 ?
    C22 H22B . 0.9600 ?
    C22 H22C . 0.9600 ?
    C23 C24 . 1.535(8) ?
    C23 H23A . 0.9600 ?
    C23 H23B . 0.9600 ?
    C23 H23C . 0.9600 ?
    C24 C28 . 1.513(8) ?
    C24 C25 . 1.536(8) ?
    C25 C26 . 1.506(8) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C26 C27 . 1.493(8) ?
    C27 H27A . 0.9600 ?
    C27 H27B . 0.9600 ?
    C27 H27C . 0.9600 ?
    C28 H28A . 0.9600 ?
    C28 H28B . 0.9600 ?
    C28 H28C . 0.9600 ?
    C29 C30 . 1.509(8) ?
    C29 H29A . 0.9700 ?
    C29 H29B . 0.9700 ?
    C30 H30A . 0.9700 ?
    C30 H30B . 0.9700 ?
    C31 C32 . 1.518(8) ?
    C31 H31A . 0.9700 ?
    C31 H31B . 0.9700 ?
    C32 H32A . 0.9700 ?
    C32 H32B . 0.9700 ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    N2 Cu1 N4 . . 174.3(2) ?
    N2 Cu1 N3 . . 94.19(19) ?
    N4 Cu1 N3 . . 85.20(19) ?
    N2 Cu1 N1 . . 85.73(19) ?
    N4 Cu1 N1 . . 93.92(19) ?
    N3 Cu1 N1 . . 170.3(2) ?
    N2 Cu1 Br1 . . 97.60(14) ?
    N4 Cu1 Br1 . . 88.02(14) ?
    N3 Cu1 Br1 . . 102.03(14) ?
    N1 Cu1 Br1 . . 87.58(14) ?
    N8 Cu2 N6 . . 172.1(2) ?
    N8 Cu2 N5 . . 94.13(19) ?
    N6 Cu2 N5 . . 84.2(2) ?
    N8 Cu2 N7 . . 85.69(19) ?
    N6 Cu2 N7 . . 94.32(19) ?
    N5 Cu2 N7 . . 168.0(2) ?
    N8 Cu2 Br2 . . 101.90(14) ?
    N6 Cu2 Br2 . . 86.00(14) ?
    N5 Cu2 Br2 . . 99.99(14) ?
    N7 Cu2 Br2 . . 91.81(14) ?
    H1W1 O1W H1W2 . . 103(8) ?
    H2W1 O2W H2W2 . . 108(10) ?
    H3W1 O3W H3W2 . . 109(9) ?
    H4W1 O4W H4W2 . . 108(9) ?
    C13 N1 C2 . . 116.0(5) ?
    C13 N1 Cu1 . . 106.1(3) ?
    C2 N1 Cu1 . . 117.6(4) ?
    C13 N1 H1 . . 105.3 ?
    C2 N1 H1 . . 105.3 ?
    Cu1 N1 H1 . . 105.3 ?
    C10 N2 C14 . . 122.3(5) ?
    C10 N2 Cu1 . . 127.5(4) ?
    C14 N2 Cu1 . . 109.6(4) ?
    C15 N3 C8 . . 116.3(4) ?
    C15 N3 Cu1 . . 104.6(4) ?
    C8 N3 Cu1 . . 119.0(3) ?
    C15 N3 H3 . . 105.2 ?
    C8 N3 H3 . . 105.2 ?
    Cu1 N3 H3 . . 105.2 ?
    C4 N4 C16 . . 121.1(5) ?
    C4 N4 Cu1 . . 127.9(4) ?
    C16 N4 Cu1 . . 110.9(4) ?
    C29 N5 C18 . . 117.0(5) ?
    C29 N5 Cu2 . . 104.9(4) ?
    C18 N5 Cu2 . . 118.0(4) ?
    C29 N5 H5 . . 105.3 ?
    C18 N5 H5 . . 105.2 ?
    Cu2 N5 H5 . . 105.2 ?
    C26 N6 C30 . . 120.5(5) ?
    C26 N6 Cu2 . . 127.7(4) ?
    C30 N6 Cu2 . . 111.4(4) ?
    C31 N7 C24 . . 115.5(5) ?
    C31 N7 Cu2 . . 106.5(3) ?
    C24 N7 Cu2 . . 116.1(4) ?
    C31 N7 H7 . . 105.9 ?
    C24 N7 H7 . . 106.0 ?
    Cu2 N7 H7 . . 106.0 ?
    C20 N8 C32 . . 121.4(5) ?
    C20 N8 Cu2 . . 128.3(4) ?
    C32 N8 Cu2 . . 109.2(4) ?
    C2 C1 H1A . . 109.5 ?
    C2 C1 H1B . . 109.5 ?
    H1A C1 H1B . . 109.5 ?
    C2 C1 H1C . . 109.5 ?
    H1A C1 H1C . . 109.5 ?
    H1B C1 H1C . . 109.5 ?
    N1 C2 C1 . . 110.8(5) ?
    N1 C2 C6 . . 110.6(5) ?
    C1 C2 C6 . . 110.0(5) ?
    N1 C2 C3 . . 107.2(5) ?
    C1 C2 C3 . . 107.7(5) ?
    C6 C2 C3 . . 110.5(5) ?
    C4 C3 C2 . . 119.7(5) ?
    C4 C3 H3A . . 107.4 ?
    C2 C3 H3A . . 107.4 ?
    C4 C3 H3B . . 107.4 ?
    C2 C3 H3B . . 107.4 ?
    H3A C3 H3B . . 106.9 ?
    N4 C4 C3 . . 121.4(6) ?
    N4 C4 C5 . . 122.6(6) ?
    C3 C4 C5 . . 116.0(6) ?
    C4 C5 H5A . . 109.5 ?
    C4 C5 H5B . . 109.5 ?
    H5A C5 H5B . . 109.5 ?
    C4 C5 H5C . . 109.5 ?
    H5A C5 H5C . . 109.5 ?
    H5B C5 H5C . . 109.5 ?
    C2 C6 H6A . . 109.5 ?
    C2 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    C2 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    C8 C7 H7A . . 109.5 ?
    C8 C7 H7B . . 109.5 ?
    H7A C7 H7B . . 109.5 ?
    C8 C7 H7C . . 109.5 ?
    H7A C7 H7C . . 109.5 ?
    H7B C7 H7C . . 109.5 ?
    N3 C8 C12 . . 111.1(5) ?
    N3 C8 C9 . . 107.4(5) ?
    C12 C8 C9 . . 111.2(5) ?
    N3 C8 C7 . . 109.4(5) ?
    C12 C8 C7 . . 110.3(5) ?
    C9 C8 C7 . . 107.3(5) ?
    C10 C9 C8 . . 120.2(5) ?
    C10 C9 H9A . . 107.3 ?
    C8 C9 H9A . . 107.3 ?
    C10 C9 H9B . . 107.3 ?
    C8 C9 H9B . . 107.3 ?
    H9A C9 H9B . . 106.9 ?
    N2 C10 C9 . . 122.0(6) ?
    N2 C10 C11 . . 123.7(6) ?
    C9 C10 C11 . . 114.2(6) ?
    C10 C11 H11A . . 109.5 ?
    C10 C11 H11B . . 109.5 ?
    H11A C11 H11B . . 109.5 ?
    C10 C11 H11C . . 109.5 ?
    H11A C11 H11C . . 109.5 ?
    H11B C11 H11C . . 109.5 ?
    C8 C12 H12A . . 109.5 ?
    C8 C12 H12B . . 109.5 ?
    H12A C12 H12B . . 109.5 ?
    C8 C12 H12C . . 109.5 ?
    H12A C12 H12C . . 109.5 ?
    H12B C12 H12C . . 109.5 ?
    N1 C13 C14 . . 108.6(5) ?
    N1 C13 H13A . . 110.0 ?
    C14 C13 H13A . . 110.0 ?
    N1 C13 H13B . . 110.0 ?
    C14 C13 H13B . . 110.0 ?
    H13A C13 H13B . . 108.4 ?
    N2 C14 C13 . . 107.5(5) ?
    N2 C14 H14A . . 110.2 ?
    C13 C14 H14A . . 110.2 ?
    N2 C14 H14B . . 110.2 ?
    C13 C14 H14B . . 110.2 ?
    H14A C14 H14B . . 108.5 ?
    N3 C15 C16 . . 109.1(5) ?
    N3 C15 H15A . . 109.9 ?
    C16 C15 H15A . . 109.9 ?
    N3 C15 H15B . . 109.9 ?
    C16 C15 H15B . . 109.9 ?
    H15A C15 H15B . . 108.3 ?
    N4 C16 C15 . . 109.5(5) ?
    N4 C16 H16A . . 109.8 ?
    C15 C16 H16A . . 109.8 ?
    N4 C16 H16B . . 109.8 ?
    C15 C16 H16B . . 109.8 ?
    H16A C16 H16B . . 108.2 ?
    C18 C17 H17A . . 109.5 ?
    C18 C17 H17B . . 109.5 ?
    H17A C17 H17B . . 109.5 ?
    C18 C17 H17C . . 109.5 ?
    H17A C17 H17C . . 109.5 ?
    H17B C17 H17C . . 109.5 ?
    N5 C18 C22 . . 111.4(5) ?
    N5 C18 C19 . . 108.1(5) ?
    C22 C18 C19 . . 110.0(5) ?
    N5 C18 C17 . . 109.9(5) ?
    C22 C18 C17 . . 109.5(5) ?
    C19 C18 C17 . . 107.8(5) ?
    C20 C19 C18 . . 120.9(5) ?
    C20 C19 H19A . . 107.1 ?
    C18 C19 H19A . . 107.1 ?
    C20 C19 H19B . . 107.1 ?
    C18 C19 H19B . . 107.1 ?
    H19A C19 H19B . . 106.8 ?
    N8 C20 C21 . . 124.6(6) ?
    N8 C20 C19 . . 120.7(5) ?
    C21 C20 C19 . . 114.7(6) ?
    C20 C21 H21A . . 109.5 ?
    C20 C21 H21B . . 109.5 ?
    H21A C21 H21B . . 109.5 ?
    C20 C21 H21C . . 109.5 ?
    H21A C21 H21C . . 109.5 ?
    H21B C21 H21C . . 109.5 ?
    C18 C22 H22A . . 109.5 ?
    C18 C22 H22B . . 109.5 ?
    H22A C22 H22B . . 109.5 ?
    C18 C22 H22C . . 109.5 ?
    H22A C22 H22C . . 109.5 ?
    H22B C22 H22C . . 109.5 ?
    C24 C23 H23A . . 109.5 ?
    C24 C23 H23B . . 109.5 ?
    H23A C23 H23B . . 109.5 ?
    C24 C23 H23C . . 109.5 ?
    H23A C23 H23C . . 109.5 ?
    H23B C23 H23C . . 109.5 ?
    N7 C24 C28 . . 110.7(5) ?
    N7 C24 C23 . . 110.1(5) ?
    C28 C24 C23 . . 110.3(5) ?
    N7 C24 C25 . . 107.2(5) ?
    C28 C24 C25 . . 111.2(5) ?
    C23 C24 C25 . . 107.1(5) ?
    C26 C25 C24 . . 119.0(5) ?
    C26 C25 H25A . . 107.6 ?
    C24 C25 H25A . . 107.6 ?
    C26 C25 H25B . . 107.6 ?
    C24 C25 H25B . . 107.6 ?
    H25A C25 H25B . . 107.0 ?
    N6 C26 C27 . . 124.2(6) ?
    N6 C26 C25 . . 121.2(6) ?
    C27 C26 C25 . . 114.6(6) ?
    C26 C27 H27A . . 109.5 ?
    C26 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    C26 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
    C24 C28 H28A . . 109.5 ?
    C24 C28 H28B . . 109.5 ?
    H28A C28 H28B . . 109.5 ?
    C24 C28 H28C . . 109.5 ?
    H28A C28 H28C . . 109.5 ?
    H28B C28 H28C . . 109.5 ?
    N5 C29 C30 . . 108.5(5) ?
    N5 C29 H29A . . 110.0 ?
    C30 C29 H29A . . 110.0 ?
    N5 C29 H29B . . 110.0 ?
    C30 C29 H29B . . 110.0 ?
    H29A C29 H29B . . 108.4 ?
    N6 C30 C29 . . 109.4(5) ?
    N6 C30 H30A . . 109.8 ?
    C29 C30 H30A . . 109.8 ?
    N6 C30 H30B . . 109.8 ?
    C29 C30 H30B . . 109.8 ?
    H30A C30 H30B . . 108.2 ?
    N7 C31 C32 . . 107.6(5) ?
    N7 C31 H31A . . 110.2 ?
    C32 C31 H31A . . 110.2 ?
    N7 C31 H31B . . 110.2 ?
    C32 C31 H31B . . 110.2 ?
    H31A C31 H31B . . 108.5 ?
    N8 C32 C31 . . 107.6(5) ?
    N8 C32 H32A . . 110.2 ?
    C31 C32 H32A . . 110.2 ?
    N8 C32 H32B . . 110.2 ?
    C31 C32 H32B . . 110.2 ?
    H32A C32 H32B . . 108.5 ?
loop_
    _geom_torsion_atom_site_label_1
    _geom_torsion_atom_site_label_2
    _geom_torsion_atom_site_label_3
    _geom_torsion_atom_site_label_4
    _geom_torsion_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N2 Cu1 N1 C13 . . . . 17.1(4) ?
    N4 Cu1 N1 C13 . . . . -157.3(4) ?
    Br1 Cu1 N1 C13 . . . . 114.9(4) ?
    N2 Cu1 N1 C2 . . . . 148.9(4) ?
    N4 Cu1 N1 C2 . . . . -25.5(4) ?
    Br1 Cu1 N1 C2 . . . . -113.3(4) ?
    N3 Cu1 N2 C10 . . . . 10.1(6) ?
    N1 Cu1 N2 C10 . . . . -160.2(6) ?
    Br1 Cu1 N2 C10 . . . . 112.8(5) ?
    N3 Cu1 N2 C14 . . . . -178.6(4) ?
    N1 Cu1 N2 C14 . . . . 11.1(4) ?
    Br1 Cu1 N2 C14 . . . . -75.9(4) ?
    N2 Cu1 N3 C15 . . . . 155.8(4) ?
    N4 Cu1 N3 C15 . . . . -29.9(4) ?
    Br1 Cu1 N3 C15 . . . . 57.1(4) ?
    N2 Cu1 N3 C8 . . . . 23.9(4) ?
    N4 Cu1 N3 C8 . . . . -161.8(4) ?
    Br1 Cu1 N3 C8 . . . . -74.8(4) ?
    N3 Cu1 N4 C4 . . . . -177.4(6) ?
    N1 Cu1 N4 C4 . . . . -7.1(6) ?
    Br1 Cu1 N4 C4 . . . . 80.3(6) ?
    N3 Cu1 N4 C16 . . . . 6.4(4) ?
    N1 Cu1 N4 C16 . . . . 176.7(4) ?
    Br1 Cu1 N4 C16 . . . . -95.8(4) ?
    N8 Cu2 N5 C29 . . . . -155.8(4) ?
    N6 Cu2 N5 C29 . . . . 31.9(4) ?
    N7 Cu2 N5 C29 . . . . 115.4(9) ?
    Br2 Cu2 N5 C29 . . . . -53.0(4) ?
    N8 Cu2 N5 C18 . . . . -23.5(4) ?
    N6 Cu2 N5 C18 . . . . 164.2(4) ?
    N7 Cu2 N5 C18 . . . . -112.2(9) ?
    Br2 Cu2 N5 C18 . . . . 79.4(4) ?
    N5 Cu2 N6 C26 . . . . 178.8(6) ?
    N7 Cu2 N6 C26 . . . . 10.8(6) ?
    Br2 Cu2 N6 C26 . . . . -80.7(5) ?
    N5 Cu2 N6 C30 . . . . -8.4(4) ?
    N7 Cu2 N6 C30 . . . . -176.4(4) ?
    Br2 Cu2 N6 C30 . . . . 92.1(4) ?
    N8 Cu2 N7 C31 . . . . -16.3(4) ?
    N6 Cu2 N7 C31 . . . . 155.8(4) ?
    N5 Cu2 N7 C31 . . . . 73.3(10) ?
    Br2 Cu2 N7 C31 . . . . -118.1(4) ?
    N8 Cu2 N7 C24 . . . . -146.5(4) ?
    N6 Cu2 N7 C24 . . . . 25.6(4) ?
    N5 Cu2 N7 C24 . . . . -56.9(11) ?
    Br2 Cu2 N7 C24 . . . . 111.7(4) ?
    N5 Cu2 N8 C20 . . . . -12.6(5) ?
    N7 Cu2 N8 C20 . . . . 155.3(5) ?
    Br2 Cu2 N8 C20 . . . . -113.7(5) ?
    N5 Cu2 N8 C32 . . . . 179.4(4) ?
    N7 Cu2 N8 C32 . . . . -12.6(4) ?
    Br2 Cu2 N8 C32 . . . . 78.3(4) ?
    C13 N1 C2 C1 . . . . -57.8(7) ?
    Cu1 N1 C2 C1 . . . . 175.1(4) ?
    C13 N1 C2 C6 . . . . 64.5(6) ?
    Cu1 N1 C2 C6 . . . . -62.7(6) ?
    C13 N1 C2 C3 . . . . -175.0(5) ?
    Cu1 N1 C2 C3 . . . . 57.9(6) ?
    N1 C2 C3 C4 . . . . -66.2(7) ?
    C1 C2 C3 C4 . . . . 174.6(6) ?
    C6 C2 C3 C4 . . . . 54.5(8) ?
    C16 N4 C4 C3 . . . . 179.4(5) ?
    Cu1 N4 C4 C3 . . . . 3.6(9) ?
    C16 N4 C4 C5 . . . . 0.5(10) ?
    Cu1 N4 C4 C5 . . . . -175.3(4) ?
    C2 C3 C4 N4 . . . . 34.9(9) ?
    C2 C3 C4 C5 . . . . -146.2(6) ?
    C15 N3 C8 C12 . . . . -60.5(6) ?
    Cu1 N3 C8 C12 . . . . 66.1(5) ?
    C15 N3 C8 C9 . . . . 177.7(5) ?
    Cu1 N3 C8 C9 . . . . -55.8(6) ?
    C15 N3 C8 C7 . . . . 61.5(7) ?
    Cu1 N3 C8 C7 . . . . -171.9(4) ?
    N3 C8 C9 C10 . . . . 62.6(7) ?
    C12 C8 C9 C10 . . . . -59.1(7) ?
    C7 C8 C9 C10 . . . . -179.8(5) ?
    C14 N2 C10 C9 . . . . -177.9(5) ?
    Cu1 N2 C10 C9 . . . . -7.7(9) ?
    C14 N2 C10 C11 . . . . 1.3(10) ?
    Cu1 N2 C10 C11 . . . . 171.6(4) ?
    C8 C9 C10 N2 . . . . -30.9(9) ?
    C8 C9 C10 C11 . . . . 149.8(6) ?
    C2 N1 C13 C14 . . . . -174.3(5) ?
    Cu1 N1 C13 C14 . . . . -41.6(6) ?
    C10 N2 C14 C13 . . . . 135.2(6) ?
    Cu1 N2 C14 C13 . . . . -36.6(6) ?
    N1 C13 C14 N2 . . . . 52.3(7) ?
    C8 N3 C15 C16 . . . . -178.6(5) ?
    Cu1 N3 C15 C16 . . . . 47.9(6) ?
    C4 N4 C16 C15 . . . . -157.7(6) ?
    Cu1 N4 C16 C15 . . . . 18.7(6) ?
    N3 C15 C16 N4 . . . . -44.7(7) ?
    C29 N5 C18 C22 . . . . 61.9(7) ?
    Cu2 N5 C18 C22 . . . . -64.8(6) ?
    C29 N5 C18 C19 . . . . -177.1(5) ?
    Cu2 N5 C18 C19 . . . . 56.2(6) ?
    C29 N5 C18 C17 . . . . -59.7(7) ?
    Cu2 N5 C18 C17 . . . . 173.6(4) ?
    N5 C18 C19 C20 . . . . -62.3(7) ?
    C22 C18 C19 C20 . . . . 59.6(7) ?
    C17 C18 C19 C20 . . . . 178.9(5) ?
    C32 N8 C20 C21 . . . . 0.1(9) ?
    Cu2 N8 C20 C21 . . . . -166.6(4) ?
    C32 N8 C20 C19 . . . . 178.7(5) ?
    Cu2 N8 C20 C19 . . . . 12.0(9) ?
    C18 C19 C20 N8 . . . . 27.5(9) ?
    C18 C19 C20 C21 . . . . -153.8(6) ?
    C31 N7 C24 C28 . . . . -64.3(7) ?
    Cu2 N7 C24 C28 . . . . 61.5(6) ?
    C31 N7 C24 C23 . . . . 58.0(7) ?
    Cu2 N7 C24 C23 . . . . -176.2(4) ?
    C31 N7 C24 C25 . . . . 174.3(5) ?
    Cu2 N7 C24 C25 . . . . -60.0(6) ?
    N7 C24 C25 C26 . . . . 67.1(7) ?
    C28 C24 C25 C26 . . . . -54.1(7) ?
    C23 C24 C25 C26 . . . . -174.7(5) ?
    C30 N6 C26 C27 . . . . -1.8(9) ?
    Cu2 N6 C26 C27 . . . . 170.3(4) ?
    C30 N6 C26 C25 . . . . 178.6(5) ?
    Cu2 N6 C26 C25 . . . . -9.2(9) ?
    C24 C25 C26 N6 . . . . -31.2(9) ?
    C24 C25 C26 C27 . . . . 149.2(6) ?
    C18 N5 C29 C30 . . . . 177.8(5) ?
    Cu2 N5 C29 C30 . . . . -49.3(6) ?
    C26 N6 C30 C29 . . . . 156.6(6) ?
    Cu2 N6 C30 C29 . . . . -16.8(6) ?
    N5 C29 C30 N6 . . . . 44.1(7) ?
    C24 N7 C31 C32 . . . . 171.8(5) ?
    Cu2 N7 C31 C32 . . . . 41.3(5) ?
    C20 N8 C32 C31 . . . . -130.3(6) ?
    Cu2 N8 C32 C31 . . . . 38.6(6) ?
    N7 C31 C32 N8 . . . . -53.3(6) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    O1W H1W1 Br1 . 0.824(19) 2.46(2) 3.274(5) 173(8)
    O1W H1W2 Br2 . 0.83(2) 2.58(3) 3.395(6) 170(7)
    O2W H2W1 Br2 . 0.80(2) 2.61(8) 3.238(6) 136(9)
    O2W H2W2 Br1 . 0.81(2) 2.53(3) 3.328(7) 168(10)
    O3W H3W1 Br4 . 0.81(2) 2.62(3) 3.417(6) 169(10)
    O3W H3W2 Br3 . 0.80(2) 2.61(4) 3.362(6) 156(8)
    O4W H4W1 Br3 . 0.81(2) 2.66(2) 3.461(6) 170(8)
    O4W H4W2 Br4 . 0.813(19) 2.58(4) 3.327(5) 155(7)
    N1 H1 O1W . 0.91 2.44 3.317(8) 160.7
    N1 H1 Br1 . 0.91 2.99 3.519(5) 119.1
    N3 H3 Br3 1_655 0.91 2.57 3.457(5) 166.1
    N5 H5 Br4 . 0.91 2.53 3.432(5) 169.6
    N7 H7 O2W . 0.91 2.40 3.257(9) 157.9
    N7 H7 Br2 . 0.91 3.14 3.612(5) 114.5
data_global
_journal_date_recd_electronic     2010-12-23
_journal_date_accepted     2011-04-06
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2011
_journal_volume     67
_journal_issue      5
_journal_page_first     m607
_journal_page_last     m607
_journal_paper_category     QM
_journal_coeditor_code     BV2173
_publ_contact_author_name     'Shi, FeiFei '
_publ_contact_author_address
;
Ordered Matter Science Research Center, College of Chemistry and Chemical
Engineering, Southeast UniVersity,
Nanjing 210096, P. R. China
;
_publ_contact_author_email     'chmsunbw@seu.edu.cn'
_publ_contact_author_fax     '86-25-52090614'
_publ_contact_author_phone     '86-25-52090614'
_publ_section_title
;\
Bromido(meso-5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradeca-\
1,7-diene)copper(II) bromide dihydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Shi, Fei-Fei' .
;
Ordered Matter Science Research Center
College of Chemistry and Chemical Engineering
Southeast University
Nanjing 210096
People's Republic of China
;
    'He, Xiu-Li' .
;
Ordered Matter Science Research Center
College of Chemistry and Chemical Engineering
Southeast University
Nanjing 210096
People's Republic of China
;
