##############################################################################
#                                                                            #
# 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
;
Diaqua(1,4,8,11-tetraazacyclotetradecane-
κ⁴N¹,N⁴,N⁸,N¹¹)copper(II)
didodecanoate dihydrate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C10 H28 Cu N4 O2 2+, 2(C12 H23 O2 -), 2(H2 O)'
_chemical_formula_sum     'C34 H78 Cu N4 O8'
_chemical_formula_iupac     '[Cu (C10 H24 N4) (H2 O)2] (C12 H23 O2)2, 2H2 O'
_chemical_formula_weight     734.54
_chemical_melting_point     ?
_symmetry_cell_setting     triclinic
_symmetry_space_group_name_H-M     'P -1'
_symmetry_space_group_name_Hall     '-P 1'
loop_
    _symmetry_equiv_pos_as_xyz
    'x, y, z'
    '-x, -y, -z'
_cell_length_a     6.9972(4)
_cell_length_b     8.8164(5)
_cell_length_c     17.1495(10)
_cell_angle_alpha     96.218(3)
_cell_angle_beta     99.137(3)
_cell_angle_gamma     98.329(3)
_cell_volume     1024.13(10)
_cell_formula_units_Z     1
_cell_measurement_reflns_used     2586
_cell_measurement_theta_min     2.79
_cell_measurement_theta_max     27.61
_cell_measurement_temperature     150(2)
_exptl_crystal_description     Plate
_exptl_crystal_colour     violet
_exptl_crystal_size_max     0.41
_exptl_crystal_size_mid     0.41
_exptl_crystal_size_min     0.08
_exptl_crystal_density_diffrn     1.191
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     403
_exptl_absorpt_coefficient_mu     0.582
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 2008)'
_exptl_absorpt_correction_T_min     0.7964
_exptl_absorpt_correction_T_max     0.9549
_exptl_special_details
;
;
_diffrn_ambient_temperature     150(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     'Bruker SMART CCD area-detector'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     7085
_diffrn_reflns_av_R_equivalents     0.0452
_diffrn_reflns_av_sigmaI/netI     0.0784
_diffrn_reflns_theta_min     2.79
_diffrn_reflns_theta_max     27.61
_diffrn_reflns_theta_full     27.61
_diffrn_measured_fraction_theta_max     0.971
_diffrn_measured_fraction_theta_full     0.971
_diffrn_reflns_limit_h_min     -9
_diffrn_reflns_limit_h_max     8
_diffrn_reflns_limit_k_min     -11
_diffrn_reflns_limit_k_max     11
_diffrn_reflns_limit_l_min     0
_diffrn_reflns_limit_l_max     22
_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     4623
_reflns_number_gt     4138
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0516
_refine_ls_R_factor_gt     0.0466
_refine_ls_wR_factor_gt     0.1241
_refine_ls_wR_factor_ref     0.1287
_refine_ls_goodness_of_fit_ref     1.066
_refine_ls_restrained_S_all     1.066
_refine_ls_number_reflns     4623
_refine_ls_number_parameters     215
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
         'calc w=1/[σ²(Fo²)+(0.0591P)²+0.1090P] 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     0.543
_refine_diff_density_min     -0.517
_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'
    '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     'SMART (Bruker, 1997)'
_computing_cell_refinement     'SAINT (Bruker, 1997)'
_computing_data_reduction     'SAINT (Bruker, 1997)'
_computing_structure_solution     'SHELXS97 (Sheldrick, 2008)'
_computing_structure_refinement     'SHELXL97 (Sheldrick, 2008)'
_computing_molecular_graphics
;
ORTEPIII (Burnett & Johnson, 1996), ORTEP-3 for Windows (Farrugia,
1997) and
PLATON (Spek, 2009)
;
_computing_publication_material     'publCIF (Westrip, 2010)'
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
    Cu Cu1 1.0000 0.0000 1.0000 0.01254(12) Uani d S 1 2 . .
    O O2W 0.6641(2) 0.00995(16) 0.93529(9) 0.0230(3) Uani d . 1 1 . .
    H H2WA 0.5631 -0.0637 0.9110 0.034 Uiso d R 1 1 . .
    H H2WB 0.6086 0.0954 0.9319 0.034 Uiso d R 1 1 . .
    N N1 1.1080(2) 0.18383(18) 0.95170(10) 0.0151(3) Uani d . 1 1 . .
    H H1 1.2439 0.1913 0.9617 0.018 Uiso calc R 1 1 . .
    N N2 0.9722(2) 0.15474(18) 1.09264(9) 0.0159(3) Uani d . 1 1 . .
    H H2 0.8416 0.1686 1.0853 0.019 Uiso calc R 1 1 . .
    C C1 1.1016(3) 0.0404(3) 0.81813(12) 0.0234(5) Uani d . 1 1 . .
    H H1A 1.0855 0.0541 0.7610 0.028 Uiso calc R 1 1 . .
    H H1B 1.2416 0.0352 0.8367 0.028 Uiso calc R 1 1 . .
    C C2 1.0491(3) 0.1814(2) 0.86470(12) 0.0210(4) Uani d . 1 1 . .
    H H2A 1.1157 0.2767 0.8484 0.025 Uiso calc R 1 1 . .
    H H2B 0.9057 0.1799 0.8518 0.025 Uiso calc R 1 1 . .
    C C3 1.0621(3) 0.3232(2) 0.99684(13) 0.0203(4) Uani d . 1 1 . .
    H H3A 0.9248 0.3356 0.9778 0.024 Uiso calc R 1 1 . .
    H H3B 1.1501 0.4166 0.9888 0.024 Uiso calc R 1 1 . .
    C C4 1.0903(3) 0.3035(2) 1.08367(13) 0.0207(4) Uani d . 1 1 . .
    H H4A 1.2308 0.3037 1.1043 0.025 Uiso calc R 1 1 . .
    H H4B 1.0478 0.3902 1.1145 0.025 Uiso calc R 1 1 . .
    C C5 1.0207(3) 0.1110(3) 1.17381(12) 0.0221(4) Uani d . 1 1 . .
    H H5A 0.9975 0.1934 1.2135 0.027 Uiso calc R 1 1 . .
    H H5B 1.1615 0.1019 1.1851 0.027 Uiso calc R 1 1 . .
    O O1 0.3901(2) 0.76965(15) 0.84556(8) 0.0201(3) Uani d . 1 1 . .
    O O2 0.3977(3) 0.54859(17) 0.89662(9) 0.0277(4) Uani d . 1 1 . .
    C C6 1.5268(4) 0.8928(3) 0.31756(16) 0.0379(6) Uani d . 1 1 . .
    H H6A 1.6020 0.9753 0.3585 0.057 Uiso calc R 1 1 . .
    H H6B 1.5357 0.9224 0.2646 0.057 Uiso calc R 1 1 . .
    H H6C 1.5804 0.7970 0.3229 0.057 Uiso calc R 1 1 . .
    C C7 1.3129(3) 0.8673(3) 0.32783(13) 0.0302(5) Uani d . 1 1 . .
    H H7A 1.2590 0.9636 0.3204 0.036 Uiso calc R 1 1 . .
    H H7B 1.2380 0.7852 0.2856 0.036 Uiso calc R 1 1 . .
    C C8 1.2814(3) 0.8219(3) 0.40846(12) 0.0216(4) Uani d . 1 1 . .
    H H8A 1.3601 0.9020 0.4509 0.026 Uiso calc R 1 1 . .
    H H8B 1.3301 0.7233 0.4151 0.026 Uiso calc R 1 1 . .
    C C9 1.0669(3) 0.8029(3) 0.41888(12) 0.0217(4) Uani d . 1 1 . .
    H H9A 1.0194 0.9024 0.4136 0.026 Uiso calc R 1 1 . .
    H H9B 0.9879 0.7250 0.3755 0.026 Uiso calc R 1 1 . .
    C C10 1.0328(3) 0.7534(3) 0.49849(12) 0.0227(4) Uani d . 1 1 . .
    H H10A 1.1154 0.8293 0.5420 0.027 Uiso calc R 1 1 . .
    H H10B 1.0755 0.6520 0.5030 0.027 Uiso calc R 1 1 . .
    C C11 0.8192(3) 0.7402(3) 0.50970(12) 0.0223(4) Uani d . 1 1 . .
    H H11A 0.7362 0.6671 0.4652 0.027 Uiso calc R 1 1 . .
    H H11B 0.7779 0.8426 0.5069 0.027 Uiso calc R 1 1 . .
    C C12 0.7825(3) 0.6855(3) 0.58845(13) 0.0241(5) Uani d . 1 1 . .
    H H12A 0.8202 0.5819 0.5907 0.029 Uiso calc R 1 1 . .
    H H12B 0.8676 0.7572 0.6330 0.029 Uiso calc R 1 1 . .
    C C13 0.5699(3) 0.6768(3) 0.59969(12) 0.0225(4) Uani d . 1 1 . .
    H H13A 0.4846 0.6099 0.5534 0.027 Uiso calc R 1 1 . .
    H H13B 0.5348 0.7817 0.6002 0.027 Uiso calc R 1 1 . .
    C C14 0.5274(3) 0.6143(2) 0.67581(12) 0.0214(4) Uani d . 1 1 . .
    H H14A 0.6137 0.6802 0.7222 0.026 Uiso calc R 1 1 . .
    H H14B 0.5598 0.5086 0.6750 0.026 Uiso calc R 1 1 . .
    C C15 0.3140(3) 0.6090(2) 0.68655(12) 0.0202(4) Uani d . 1 1 . .
    H H15A 0.2270 0.5519 0.6379 0.024 Uiso calc R 1 1 . .
    H H15B 0.2853 0.7160 0.6928 0.024 Uiso calc R 1 1 . .
    C C16 0.2673(3) 0.5319(2) 0.75860(11) 0.0192(4) Uani d . 1 1 . .
    H H16A 0.3117 0.4302 0.7555 0.023 Uiso calc R 1 1 . .
    H H16B 0.1231 0.5128 0.7554 0.023 Uiso calc R 1 1 . .
    C C17 0.3612(3) 0.6252(2) 0.83941(11) 0.0154(4) Uani d . 1 1 . .
    O O1W 0.5329(2) 0.29510(16) 0.95510(9) 0.0208(3) Uani d . 1 1 . .
    H H1WA 0.5554 0.3337 1.0070 0.031 Uiso d R 1 1 . .
    H H1WB 0.4965 0.3679 0.9255 0.031 Uiso d R 1 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds 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
    Cu1 N1 2_757 2.0048(16) ?
    Cu1 N1 . 2.0048(16) ?
    Cu1 N2 2_757 2.0319(15) ?
    Cu1 N2 . 2.0319(15) ?
    O2W H2WA . 0.8998 ?
    O2W H2WB . 0.8994 ?
    N1 C2 . 1.481(2) ?
    N1 C3 . 1.483(2) ?
    N1 H1 . 0.9300 ?
    N2 C4 . 1.482(3) ?
    N2 C5 . 1.485(2) ?
    N2 H2 . 0.9300 ?
    C1 C5 2_757 1.510(3) ?
    C1 C2 . 1.526(3) ?
    C1 H1A . 0.9900 ?
    C1 H1B . 0.9900 ?
    C2 H2A . 0.9900 ?
    C2 H2B . 0.9900 ?
    C3 C4 . 1.503(3) ?
    C3 H3A . 0.9900 ?
    C3 H3B . 0.9900 ?
    C4 H4A . 0.9900 ?
    C4 H4B . 0.9900 ?
    C5 C1 2_757 1.510(3) ?
    C5 H5A . 0.9900 ?
    C5 H5B . 0.9900 ?
    O1 C17 . 1.250(2) ?
    O2 C17 . 1.264(2) ?
    C6 C7 . 1.522(3) ?
    C6 H6A . 0.9800 ?
    C6 H6B . 0.9800 ?
    C6 H6C . 0.9800 ?
    C7 C8 . 1.521(3) ?
    C7 H7A . 0.9900 ?
    C7 H7B . 0.9900 ?
    C8 C9 . 1.527(3) ?
    C8 H8A . 0.9900 ?
    C8 H8B . 0.9900 ?
    C9 C10 . 1.521(3) ?
    C9 H9A . 0.9900 ?
    C9 H9B . 0.9900 ?
    C10 C11 . 1.527(3) ?
    C10 H10A . 0.9900 ?
    C10 H10B . 0.9900 ?
    C11 C12 . 1.529(3) ?
    C11 H11A . 0.9900 ?
    C11 H11B . 0.9900 ?
    C12 C13 . 1.523(3) ?
    C12 H12A . 0.9900 ?
    C12 H12B . 0.9900 ?
    C13 C14 . 1.526(3) ?
    C13 H13A . 0.9900 ?
    C13 H13B . 0.9900 ?
    C14 C15 . 1.528(3) ?
    C14 H14A . 0.9900 ?
    C14 H14B . 0.9900 ?
    C15 C16 . 1.530(3) ?
    C15 H15A . 0.9900 ?
    C15 H15B . 0.9900 ?
    C16 C17 . 1.529(3) ?
    C16 H16A . 0.9900 ?
    C16 H16B . 0.9900 ?
    O1W H1WA . 0.8986 ?
    O1W H1WB . 0.9006 ?
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
    N1 Cu1 N1 2_757 . 180.0 ?
    N1 Cu1 N2 2_757 2_757 86.18(7) ?
    N1 Cu1 N2 . 2_757 93.82(7) ?
    N1 Cu1 N2 2_757 . 93.82(7) ?
    N1 Cu1 N2 . . 86.18(7) ?
    N2 Cu1 N2 2_757 . 180.0000(10)
                                 ?
    H2WA O2W H2WB . . 100.8 ?
    C2 N1 C3 . . 111.39(15) ?
    C2 N1 Cu1 . . 117.57(13) ?
    C3 N1 Cu1 . . 107.35(12) ?
    C2 N1 H1 . . 106.6 ?
    C3 N1 H1 . . 106.6 ?
    Cu1 N1 H1 . . 106.6 ?
    C4 N2 C5 . . 112.33(16) ?
    C4 N2 Cu1 . . 106.22(12) ?
    C5 N2 Cu1 . . 116.78(12) ?
    C4 N2 H2 . . 107.0 ?
    C5 N2 H2 . . 107.0 ?
    Cu1 N2 H2 . . 107.0 ?
    C5 C1 C2 2_757 . 114.02(17) ?
    C5 C1 H1A 2_757 . 108.7 ?
    C2 C1 H1A . . 108.7 ?
    C5 C1 H1B 2_757 . 108.7 ?
    C2 C1 H1B . . 108.7 ?
    H1A C1 H1B . . 107.6 ?
    N1 C2 C1 . . 111.41(15) ?
    N1 C2 H2A . . 109.3 ?
    C1 C2 H2A . . 109.3 ?
    N1 C2 H2B . . 109.3 ?
    C1 C2 H2B . . 109.3 ?
    H2A C2 H2B . . 108.0 ?
    N1 C3 C4 . . 108.34(15) ?
    N1 C3 H3A . . 110.0 ?
    C4 C3 H3A . . 110.0 ?
    N1 C3 H3B . . 110.0 ?
    C4 C3 H3B . . 110.0 ?
    H3A C3 H3B . . 108.4 ?
    N2 C4 C3 . . 108.71(16) ?
    N2 C4 H4A . . 109.9 ?
    C3 C4 H4A . . 109.9 ?
    N2 C4 H4B . . 109.9 ?
    C3 C4 H4B . . 109.9 ?
    H4A C4 H4B . . 108.3 ?
    N2 C5 C1 . 2_757 111.54(17) ?
    N2 C5 H5A . . 109.3 ?
    C1 C5 H5A 2_757 . 109.3 ?
    N2 C5 H5B . . 109.3 ?
    C1 C5 H5B 2_757 . 109.3 ?
    H5A C5 H5B . . 108.0 ?
    C7 C6 H6A . . 109.5 ?
    C7 C6 H6B . . 109.5 ?
    H6A C6 H6B . . 109.5 ?
    C7 C6 H6C . . 109.5 ?
    H6A C6 H6C . . 109.5 ?
    H6B C6 H6C . . 109.5 ?
    C8 C7 C6 . . 114.1(2) ?
    C8 C7 H7A . . 108.7 ?
    C6 C7 H7A . . 108.7 ?
    C8 C7 H7B . . 108.7 ?
    C6 C7 H7B . . 108.7 ?
    H7A C7 H7B . . 107.6 ?
    C7 C8 C9 . . 113.37(18) ?
    C7 C8 H8A . . 108.9 ?
    C9 C8 H8A . . 108.9 ?
    C7 C8 H8B . . 108.9 ?
    C9 C8 H8B . . 108.9 ?
    H8A C8 H8B . . 107.7 ?
    C10 C9 C8 . . 113.87(17) ?
    C10 C9 H9A . . 108.8 ?
    C8 C9 H9A . . 108.8 ?
    C10 C9 H9B . . 108.8 ?
    C8 C9 H9B . . 108.8 ?
    H9A C9 H9B . . 107.7 ?
    C9 C10 C11 . . 113.57(17) ?
    C9 C10 H10A . . 108.9 ?
    C11 C10 H10A . . 108.9 ?
    C9 C10 H10B . . 108.9 ?
    C11 C10 H10B . . 108.9 ?
    H10A C10 H10B . . 107.7 ?
    C10 C11 C12 . . 113.90(18) ?
    C10 C11 H11A . . 108.8 ?
    C12 C11 H11A . . 108.8 ?
    C10 C11 H11B . . 108.8 ?
    C12 C11 H11B . . 108.8 ?
    H11A C11 H11B . . 107.7 ?
    C13 C12 C11 . . 113.29(18) ?
    C13 C12 H12A . . 108.9 ?
    C11 C12 H12A . . 108.9 ?
    C13 C12 H12B . . 108.9 ?
    C11 C12 H12B . . 108.9 ?
    H12A C12 H12B . . 107.7 ?
    C12 C13 C14 . . 114.26(18) ?
    C12 C13 H13A . . 108.7 ?
    C14 C13 H13A . . 108.7 ?
    C12 C13 H13B . . 108.7 ?
    C14 C13 H13B . . 108.7 ?
    H13A C13 H13B . . 107.6 ?
    C13 C14 C15 . . 113.37(17) ?
    C13 C14 H14A . . 108.9 ?
    C15 C14 H14A . . 108.9 ?
    C13 C14 H14B . . 108.9 ?
    C15 C14 H14B . . 108.9 ?
    H14A C14 H14B . . 107.7 ?
    C14 C15 C16 . . 113.17(17) ?
    C14 C15 H15A . . 108.9 ?
    C16 C15 H15A . . 108.9 ?
    C14 C15 H15B . . 108.9 ?
    C16 C15 H15B . . 108.9 ?
    H15A C15 H15B . . 107.8 ?
    C15 C16 C17 . . 114.68(17) ?
    C15 C16 H16A . . 108.6 ?
    C17 C16 H16A . . 108.6 ?
    C15 C16 H16B . . 108.6 ?
    C17 C16 H16B . . 108.6 ?
    H16A C16 H16B . . 107.6 ?
    O1 C17 O2 . . 124.53(19) ?
    O1 C17 C16 . . 118.96(17) ?
    O2 C17 C16 . . 116.46(17) ?
    H1WA O1W H1WB . . 109.5 ?
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
    C3 N1 C2 C1 . . . . 178.39(16) ?
    Cu1 N1 C2 C1 . . . . -57.1(2) ?
    C5 C1 C2 N1 2_757 . . . 70.0(2) ?
    C2 N1 C3 C4 . . . . 169.59(16) ?
    Cu1 N1 C3 C4 . . . . 39.57(18) ?
    C5 N2 C4 C3 . . . . 168.83(15) ?
    Cu1 N2 C4 C3 . . . . 40.02(17) ?
    N1 C3 C4 N2 . . . . -53.9(2) ?
    C4 N2 C5 C1 . . . 2_757 179.78(15) ?
    Cu1 N2 C5 C1 . . . 2_757 -57.2(2) ?
    C6 C7 C8 C9 . . . . 177.8(2) ?
    C7 C8 C9 C10 . . . . 178.49(19) ?
    C8 C9 C10 C11 . . . . 177.93(18) ?
    C9 C10 C11 C12 . . . . 178.14(18) ?
    C10 C11 C12 C13 . . . . 178.57(17) ?
    C11 C12 C13 C14 . . . . 176.93(18) ?
    C12 C13 C14 C15 . . . . 179.07(18) ?
    C13 C14 C15 C16 . . . . 174.42(17) ?
    C14 C15 C16 C17 . . . . 70.0(2) ?
    C15 C16 C17 O1 . . . . 30.9(3) ?
    C15 C16 C17 O2 . . . . -151.66(19) ?
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 H1WB O2 . 0.90 1.91 2.774(2) 160.4
    O1W H1WA O2 2_667 0.90 1.81 2.694(2) 167.5
    O2W H2WB O1W . 0.90 1.93 2.8037(19) 163.5
    O2W H2WA O1 1_545 0.90 1.89 2.777(2) 167.5
    N2 H2 O1 2_667 0.93 2.25 3.030(2) 141.3
    N1 H1 O1W 1_655 0.93 2.12 2.982(2) 153.4
data_global
_journal_date_recd_electronic     2011-03-31
_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     m588
_journal_page_last     m589
_journal_paper_category     QM
_journal_coeditor_code     DN2672
_publ_contact_author_name     'Norbani Abdullah'
_publ_contact_author_address
;
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
;
_publ_contact_author_email     nursyamimi@crackberry.com
_publ_contact_author_fax     '+603-79674193'
_publ_contact_author_phone     '+603-79674264'
_publ_section_title
;\
Diaqua(1,4,8,11-tetraazacyclotetradecane-κ⁴N¹,N⁴,\
N⁸,N¹¹)copper(II) didodecanoate dihydrate
;
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Ahmad Tajidi, Nur Syamimi' .
;
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
;
    'Abdullah, Norbani' ?
;
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
;
    'Arifin, Zainudin' .
;
Department of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
;
