##############################################################################
###                                                                        ###
###        Electronic paper (Acta Crystallographica Section E)             ###
###                                                                        ###
##############################################################################
#                                                                            #
# 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 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. The current version number is 2.4.    #
#                                                                            #
# Software is freely available for graphical display of the structure(s) in  #
# this CIF.  For information consult the CIF home page http://www.iucr.org/  #
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data_global
_audit_creation_method     SHELXL-97
_journal_data_validation_number     ?
_journal_date_recd_electronic     2008-07-29
_journal_date_accepted     2008-08-01
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2008
_journal_volume     64
_journal_issue      9
_journal_page_first     m1133
_journal_page_last     m1133
_journal_paper_category     QM
_journal_coeditor_code     GK2162
_publ_contact_author_name     'Wen-Kui Dong'
_publ_contact_author_address
;
School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
_publ_contact_author_email     dongwk@mail.lzjtu.cn
_publ_contact_author_fax     '+86 931 4956512'
_publ_contact_author_phone     '+86 931 4939355'
_publ_section_title
;
Bis{μ-5-(diethylamino)-2-[(2-oxidoethoxy)iminomethyl]phenolato}dicopper(II)
acetone solvate
;
loop_
    _publ_author_name
    _publ_author_address
    'Wen-Kui Dong'
;
 School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
    'Xiao Chen'
;
 School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
    'Xue-Ni He'
;
 School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
    'Xiao-Lu Tang'
;
 School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
    'Zhong-Wu Lv'
;
 School of Chemical and Biological Engineering
 Lanzhou Jiaotong University
 Lanzhou 730070
 People's Republic of China
;
data_I
_chemical_name_systematic
;
Bis{μ-5-(diethylamino)-2-[(2-oxidoethoxy)iminomethyl]phenolato}dicopper(II)
acetone solvate
;
_chemical_name_common     ?
_chemical_formula_moiety     'C26 H36 Cu2 N4 O6, C3 H6 O'
_chemical_formula_sum     'C29 H42 Cu2 N4 O7'
_chemical_formula_iupac     '[Cu2 (C13 H18 N2 O3)2], C3 H6 O'
_chemical_formula_weight     685.75
_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     20.633(3)
_cell_length_b     11.6045(14)
_cell_length_c     13.0738(17)
_cell_angle_alpha     90.00
_cell_angle_beta     102.635(2)
_cell_angle_gamma     90.00
_cell_volume     3054.6(7)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     2917
_cell_measurement_theta_min     2.37
_cell_measurement_theta_max     22.85
_cell_measurement_temperature     298(2)
_exptl_crystal_description     prismatic
_exptl_crystal_colour     dark-brown
_exptl_crystal_size_max     0.53
_exptl_crystal_size_mid     0.49
_exptl_crystal_size_min     0.47
_exptl_crystal_density_diffrn     1.491
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     'not measured'
_exptl_crystal_F_000     1432
_exptl_absorpt_coefficient_mu     1.444
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details     '(SADABS; Sheldrick, 1996)'
_exptl_absorpt_correction_T_min     0.5150
_exptl_absorpt_correction_T_max     0.5502
_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     'Bruker SMART 1000 CCD'
_diffrn_measurement_method     'φ and ω'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     14726
_diffrn_reflns_av_R_equivalents     0.0923
_diffrn_reflns_av_sigmaI/netI     0.1243
_diffrn_reflns_theta_min     2.02
_diffrn_reflns_theta_max     25.01
_diffrn_reflns_theta_full     25.01
_diffrn_measured_fraction_theta_max     0.996
_diffrn_measured_fraction_theta_full     0.996
_diffrn_reflns_limit_h_min     -23
_diffrn_reflns_limit_h_max     24
_diffrn_reflns_limit_k_min     -13
_diffrn_reflns_limit_k_max     9
_diffrn_reflns_limit_l_min     -15
_diffrn_reflns_limit_l_max     15
_diffrn_standards_number     0
_diffrn_standards_interval_count     0
_diffrn_standards_interval_time     0
_diffrn_standards_decay_%     0
_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     5363
_reflns_number_gt     2967
_reflns_threshold_expression     I>2σ(I)
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.1296
_refine_ls_R_factor_gt     0.0753
_refine_ls_wR_factor_gt     0.2000
_refine_ls_wR_factor_ref     0.2290
_refine_ls_goodness_of_fit_ref     1.002
_refine_ls_restrained_S_all     1.002
_refine_ls_number_reflns     5363
_refine_ls_number_parameters     385
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                 'calc w=1/[σ²(Fo²)+(0.1245P)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     0.879
_refine_diff_density_min     -1.065
_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'
    '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'
    'Cu' 'Cu' 0.3201 1.2651
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection     'SMART (Siemens, 1996)'
_computing_cell_refinement     'SMART (Siemens, 1996)'
_computing_data_reduction     'SAINT (Siemens, 1996)'
_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_disorder_assembly
    _atom_site_disorder_group
    Cu Cu1 0.50062(4) 0.85967(8) 0.08317(7) 0.0325(3) Uani d . 1 . .
    Cu Cu2 0.40492(4) 0.91965(8) 0.21830(7) 0.0350(3) Uani d . 1 . .
    N N1 0.4892(3) 0.7990(5) -0.0554(5) 0.0362(15) Uani d . 1 . .
    N N2 0.8064(3) 0.8744(7) 0.0240(6) 0.061(2) Uani d . 1 . .
    N N3 0.4087(3) 1.0305(6) 0.3279(5) 0.0419(16) Uani d . 1 . .
    N N4 0.0932(4) 0.9250(8) 0.2481(7) 0.075(3) Uani d . 1 . .
    O O1 0.4275(2) 0.7535(4) -0.1126(4) 0.0392(13) Uani d . 1 . .
    O O2 0.4116(2) 0.8328(5) 0.0968(4) 0.0412(13) Uani d . 1 . .
    O O3 0.5922(2) 0.8847(4) 0.0975(4) 0.0398(13) Uani d . 1 . .
    O O4 0.4662(2) 1.0969(4) 0.3692(4) 0.0447(14) Uani d . 1 . .
    O O5 0.4970(2) 0.9318(4) 0.2158(4) 0.0395(13) Uani d . 1 . .
    O O6 0.3153(2) 0.8842(5) 0.2103(4) 0.0456(14) Uani d . 1 . .
    O O7 0.1481(6) 0.5560(10) 0.0993(9) 0.154(4) Uani d . 1 . .
    C C1 0.3732(3) 0.8175(7) -0.0905(6) 0.0398(19) Uani d . 1 . .
    H H1A 0.3337 0.7991 -0.1433 0.048 Uiso calc R 1 . .
    H H1B 0.3822 0.8990 -0.0968 0.048 Uiso calc R 1 . .
    C C2 0.3591(3) 0.7965(7) 0.0148(6) 0.042(2) Uani d . 1 . .
    H H2A 0.3189 0.8373 0.0199 0.051 Uiso calc R 1 . .
    H H2B 0.3513 0.7149 0.0226 0.051 Uiso calc R 1 . .
    C C3 0.5347(3) 0.7810(6) -0.1079(6) 0.0386(18) Uani d . 1 . .
    H H3 0.5222 0.7487 -0.1744 0.046 Uiso calc R 1 . .
    C C4 0.6025(3) 0.8082(7) -0.0690(6) 0.0389(18) Uani d . 1 . .
    C C5 0.6286(4) 0.8589(7) 0.0283(6) 0.0413(19) Uani d . 1 . .
    C C6 0.6954(4) 0.8808(7) 0.0556(7) 0.048(2) Uani d . 1 . .
    H H6 0.7128 0.9147 0.1203 0.058 Uiso calc R 1 . .
    C C7 0.7386(4) 0.8539(8) -0.0103(7) 0.051(2) Uani d . 1 . .
    C C8 0.7128(4) 0.8060(7) -0.1067(7) 0.050(2) Uani d . 1 . .
    H H8 0.7405 0.7888 -0.1520 0.060 Uiso calc R 1 . .
    C C9 0.6464(3) 0.7839(7) -0.1356(6) 0.044(2) Uani d . 1 . .
    H H9 0.6293 0.7518 -0.2012 0.053 Uiso calc R 1 . .
    C C10 0.8505(4) 0.8597(8) -0.0509(8) 0.064(3) Uani d . 1 . .
    H H10A 0.8255 0.8780 -0.1209 0.077 Uiso calc R 1 . .
    H H10B 0.8868 0.9143 -0.0334 0.077 Uiso calc R 1 . .
    C C11 0.8781(5) 0.7429(9) -0.0516(8) 0.080(3) Uani d . 1 . .
    H H11A 0.9047 0.7255 0.0165 0.120 Uiso calc R 1 . .
    H H11B 0.9051 0.7389 -0.1026 0.120 Uiso calc R 1 . .
    H H11C 0.8425 0.6882 -0.0690 0.120 Uiso calc R 1 . .
    C C12 0.8390(5) 0.9014(9) 0.1339(8) 0.072(3) Uani d . 1 . .
    H H12A 0.8152 0.8672 0.1827 0.087 Uiso calc R 1 . .
    H H12B 0.8847 0.8750 0.1506 0.087 Uiso calc R 1 . .
    C C13 0.8354(6) 1.0267(10) 0.1358(10) 0.097(4) Uani d . 1 . .
    H H13A 0.8504 1.0576 0.0769 0.146 Uiso calc R 1 . .
    H H13B 0.8631 1.0550 0.1996 0.146 Uiso calc R 1 . .
    H H13C 0.7903 1.0500 0.1321 0.146 Uiso calc R 1 . .
    C C14 0.5245(3) 1.0263(7) 0.3815(6) 0.0422(19) Uani d . 1 . .
    H H14A 0.5166 0.9544 0.4147 0.051 Uiso calc R 1 . .
    H H14B 0.5611 1.0652 0.4280 0.051 Uiso calc R 1 . .
    C C15 0.5443(3) 0.9998(7) 0.2812(6) 0.0397(19) Uani d . 1 . .
    H H15A 0.5498 1.0713 0.2456 0.048 Uiso calc R 1 . .
    H H15B 0.5866 0.9599 0.2960 0.048 Uiso calc R 1 . .
    C C16 0.3585(4) 1.0680(7) 0.3631(7) 0.049(2) Uani d . 1 . .
    H H16 0.3665 1.1265 0.4128 0.058 Uiso calc R 1 . .
    C C17 0.2923(4) 1.0267(7) 0.3318(7) 0.048(2) Uani d . 1 . .
    C C18 0.2740(4) 0.9378(8) 0.2589(7) 0.051(2) Uani d . 1 . .
    C C19 0.2075(4) 0.9048(8) 0.2342(7) 0.059(3) Uani d . 1 . .
    H H19 0.1954 0.8429 0.1889 0.071 Uiso calc R 1 . .
    C C20 0.1578(4) 0.9599(9) 0.2739(8) 0.065(3) Uani d . 1 . .
    C C21 0.1795(5) 1.0508(8) 0.3459(8) 0.066(3) Uani d . 1 . .
    H H21 0.1487 1.0888 0.3761 0.079 Uiso calc R 1 . .
    C C22 0.2412(4) 1.0817(8) 0.3705(7) 0.057(2) Uani d . 1 . .
    H H22 0.2527 1.1436 0.4161 0.069 Uiso calc R 1 . .
    C C23 0.0379(5) 1.0076(11) 0.2675(10) 0.087(3) Uani d . 1 . .
    H H23A 0.0533 1.0868 0.2728 0.104 Uiso calc R 1 . .
    H H23B -0.0013 1.0020 0.2112 0.104 Uiso calc R 1 . .
    C C24 0.0237(6) 0.9686(12) 0.3669(10) 0.110(4) Uani d . 1 . .
    H H24A 0.0075 0.8908 0.3595 0.165 Uiso calc R 1 . .
    H H24B -0.0093 1.0177 0.3856 0.165 Uiso calc R 1 . .
    H H24C 0.0636 0.9718 0.4208 0.165 Uiso calc R 1 . .
    C C25 0.0727(5) 0.8171(10) 0.1932(10) 0.083(3) Uani d . 1 . .
    H H25A 0.1089 0.7620 0.2083 0.100 Uiso calc R 1 . .
    H H25B 0.0352 0.7848 0.2170 0.100 Uiso calc R 1 . .
    C C26 0.0544(6) 0.8385(12) 0.0819(10) 0.109(4) Uani d . 1 . .
    H H26A 0.0138 0.8818 0.0659 0.164 Uiso calc R 1 . .
    H H26B 0.0482 0.7664 0.0450 0.164 Uiso calc R 1 . .
    H H26C 0.0890 0.8815 0.0607 0.164 Uiso calc R 1 . .
    C C27 0.2690(8) 0.5540(14) 0.1403(14) 0.151(6) Uani d . 1 . .
    H H27A 0.2945 0.6170 0.1761 0.226 Uiso calc R 1 . .
    H H27B 0.2914 0.5225 0.0894 0.226 Uiso calc R 1 . .
    H H27C 0.2645 0.4954 0.1901 0.226 Uiso calc R 1 . .
    C C28 0.2039(10) 0.5947(16) 0.0880(15) 0.139(6) Uani d . 1 . .
    C C29 0.1968(7) 0.6857(14) 0.0057(12) 0.135(5) Uani d . 1 . .
    H H29A 0.1514 0.6892 -0.0323 0.202 Uiso calc R 1 . .
    H H29B 0.2249 0.6678 -0.0417 0.202 Uiso calc R 1 . .
    H H29C 0.2095 0.7589 0.0382 0.202 Uiso calc R 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
    Cu1 O3 . 1.880(5) ?
    Cu1 O2 . 1.909(5) ?
    Cu1 N1 . 1.910(6) ?
    Cu1 O5 . 1.942(5) ?
    Cu1 Cu2 . 3.0051(12) ?
    Cu2 O6 . 1.874(5) ?
    Cu2 O2 . 1.911(5) ?
    Cu2 O5 . 1.912(5) ?
    Cu2 N3 . 1.914(6) ?
    N1 C3 . 1.295(8) ?
    N1 O1 . 1.428(7) ?
    N2 C7 . 1.394(10) ?
    N2 C12 . 1.480(12) ?
    N2 C10 . 1.485(11) ?
    N3 C16 . 1.297(9) ?
    N3 O4 . 1.419(7) ?
    N4 C20 . 1.363(11) ?
    N4 C25 . 1.459(13) ?
    N4 C23 . 1.552(12) ?
    O1 C1 . 1.425(8) ?
    O2 C2 . 1.412(8) ?
    O3 C5 . 1.330(8) ?
    O4 C14 . 1.435(8) ?
    O5 C15 . 1.393(8) ?
    O6 C18 . 1.324(8) ?
    O7 C28 . 1.275(16) ?
    C1 C2 . 1.488(10) ?
    C1 H1A . 0.9700 ?
    C1 H1B . 0.9700 ?
    C2 H2A . 0.9700 ?
    C2 H2B . 0.9700 ?
    C3 C4 . 1.417(10) ?
    C3 H3 . 0.9300 ?
    C4 C5 . 1.398(11) ?
    C4 C9 . 1.415(10) ?
    C5 C6 . 1.371(10) ?
    C6 C7 . 1.403(11) ?
    C6 H6 . 0.9300 ?
    C7 C8 . 1.374(12) ?
    C8 C9 . 1.365(10) ?
    C8 H8 . 0.9300 ?
    C9 H9 . 0.9300 ?
    C10 C11 . 1.470(13) ?
    C10 H10A . 0.9700 ?
    C10 H10B . 0.9700 ?
    C11 H11A . 0.9600 ?
    C11 H11B . 0.9600 ?
    C11 H11C . 0.9600 ?
    C12 C13 . 1.456(14) ?
    C12 H12A . 0.9700 ?
    C12 H12B . 0.9700 ?
    C13 H13A . 0.9600 ?
    C13 H13B . 0.9600 ?
    C13 H13C . 0.9600 ?
    C14 C15 . 1.488(10) ?
    C14 H14A . 0.9700 ?
    C14 H14B . 0.9700 ?
    C15 H15A . 0.9700 ?
    C15 H15B . 0.9700 ?
    C16 C17 . 1.421(11) ?
    C16 H16 . 0.9300 ?
    C17 C18 . 1.400(11) ?
    C17 C22 . 1.416(10) ?
    C18 C19 . 1.392(11) ?
    C19 C20 . 1.401(11) ?
    C19 H19 . 0.9300 ?
    C20 C21 . 1.419(13) ?
    C21 C22 . 1.295(11) ?
    C21 H21 . 0.9300 ?
    C22 H22 . 0.9300 ?
    C23 C24 . 1.465(14) ?
    C23 H23A . 0.9700 ?
    C23 H23B . 0.9700 ?
    C24 H24A . 0.9600 ?
    C24 H24B . 0.9600 ?
    C24 H24C . 0.9600 ?
    C25 C26 . 1.442(15) ?
    C25 H25A . 0.9700 ?
    C25 H25B . 0.9700 ?
    C26 H26A . 0.9600 ?
    C26 H26B . 0.9600 ?
    C26 H26C . 0.9600 ?
    C27 C28 . 1.45(2) ?
    C27 H27A . 0.9600 ?
    C27 H27B . 0.9600 ?
    C27 H27C . 0.9600 ?
    C28 C29 . 1.49(2) ?
    C29 H29A . 0.9600 ?
    C29 H29B . 0.9600 ?
    C29 H29C . 0.9600 ?
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
    O3 Cu1 O2 . . 169.2(2) ?
    O3 Cu1 N1 . . 93.7(2) ?
    O2 Cu1 N1 . . 96.1(2) ?
    O3 Cu1 O5 . . 94.5(2) ?
    O2 Cu1 O5 . . 76.2(2) ?
    N1 Cu1 O5 . . 170.1(2) ?
    O3 Cu1 Cu2 . . 132.92(15) ?
    O2 Cu1 Cu2 . . 38.15(15) ?
    N1 Cu1 Cu2 . . 133.02(17) ?
    O5 Cu1 Cu2 . . 38.40(13) ?
    O6 Cu2 O2 . . 95.0(2) ?
    O6 Cu2 O5 . . 170.6(2) ?
    O2 Cu2 O5 . . 76.8(2) ?
    O6 Cu2 N3 . . 93.9(2) ?
    O2 Cu2 N3 . . 167.9(2) ?
    O5 Cu2 N3 . . 94.9(2) ?
    O6 Cu2 Cu1 . . 133.10(16) ?
    O2 Cu2 Cu1 . . 38.11(14) ?
    O5 Cu2 Cu1 . . 39.11(14) ?
    N3 Cu2 Cu1 . . 132.15(18) ?
    C3 N1 O1 . . 109.2(6) ?
    C3 N1 Cu1 . . 127.5(5) ?
    O1 N1 Cu1 . . 123.0(4) ?
    C7 N2 C12 . . 124.0(7) ?
    C7 N2 C10 . . 119.0(8) ?
    C12 N2 C10 . . 116.8(7) ?
    C16 N3 O4 . . 110.4(6) ?
    C16 N3 Cu2 . . 125.9(6) ?
    O4 N3 Cu2 . . 122.9(4) ?
    C20 N4 C25 . . 122.6(8) ?
    C20 N4 C23 . . 119.3(8) ?
    C25 N4 C23 . . 117.8(8) ?
    C1 O1 N1 . . 110.6(5) ?
    C2 O2 Cu1 . . 124.9(4) ?
    C2 O2 Cu2 . . 127.3(4) ?
    Cu1 O2 Cu2 . . 103.7(2) ?
    C5 O3 Cu1 . . 127.0(5) ?
    N3 O4 C14 . . 110.0(5) ?
    C15 O5 Cu2 . . 126.6(4) ?
    C15 O5 Cu1 . . 129.3(4) ?
    Cu2 O5 Cu1 . . 102.5(2) ?
    C18 O6 Cu2 . . 126.9(5) ?
    O1 C1 C2 . . 115.1(6) ?
    O1 C1 H1A . . 108.5 ?
    C2 C1 H1A . . 108.5 ?
    O1 C1 H1B . . 108.5 ?
    C2 C1 H1B . . 108.5 ?
    H1A C1 H1B . . 107.5 ?
    O2 C2 C1 . . 112.4(6) ?
    O2 C2 H2A . . 109.1 ?
    C1 C2 H2A . . 109.1 ?
    O2 C2 H2B . . 109.1 ?
    C1 C2 H2B . . 109.1 ?
    H2A C2 H2B . . 107.9 ?
    N1 C3 C4 . . 123.2(7) ?
    N1 C3 H3 . . 118.4 ?
    C4 C3 H3 . . 118.4 ?
    C5 C4 C9 . . 118.3(7) ?
    C5 C4 C3 . . 125.0(7) ?
    C9 C4 C3 . . 116.7(7) ?
    O3 C5 C6 . . 117.8(7) ?
    O3 C5 C4 . . 123.5(7) ?
    C6 C5 C4 . . 118.7(7) ?
    C5 C6 C7 . . 122.4(8) ?
    C5 C6 H6 . . 118.8 ?
    C7 C6 H6 . . 118.8 ?
    C8 C7 N2 . . 121.6(8) ?
    C8 C7 C6 . . 118.9(8) ?
    N2 C7 C6 . . 119.5(8) ?
    C9 C8 C7 . . 119.6(8) ?
    C9 C8 H8 . . 120.2 ?
    C7 C8 H8 . . 120.2 ?
    C8 C9 C4 . . 122.1(8) ?
    C8 C9 H9 . . 119.0 ?
    C4 C9 H9 . . 119.0 ?
    C11 C10 N2 . . 113.8(8) ?
    C11 C10 H10A . . 108.8 ?
    N2 C10 H10A . . 108.8 ?
    C11 C10 H10B . . 108.8 ?
    N2 C10 H10B . . 108.8 ?
    H10A C10 H10B . . 107.7 ?
    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 ?
    C13 C12 N2 . . 102.3(9) ?
    C13 C12 H12A . . 111.3 ?
    N2 C12 H12A . . 111.3 ?
    C13 C12 H12B . . 111.3 ?
    N2 C12 H12B . . 111.3 ?
    H12A C12 H12B . . 109.2 ?
    C12 C13 H13A . . 109.5 ?
    C12 C13 H13B . . 109.5 ?
    H13A C13 H13B . . 109.5 ?
    C12 C13 H13C . . 109.5 ?
    H13A C13 H13C . . 109.5 ?
    H13B C13 H13C . . 109.5 ?
    O4 C14 C15 . . 113.7(6) ?
    O4 C14 H14A . . 108.8 ?
    C15 C14 H14A . . 108.8 ?
    O4 C14 H14B . . 108.8 ?
    C15 C14 H14B . . 108.8 ?
    H14A C14 H14B . . 107.7 ?
    O5 C15 C14 . . 111.6(6) ?
    O5 C15 H15A . . 109.3 ?
    C14 C15 H15A . . 109.3 ?
    O5 C15 H15B . . 109.3 ?
    C14 C15 H15B . . 109.3 ?
    H15A C15 H15B . . 108.0 ?
    N3 C16 C17 . . 125.3(8) ?
    N3 C16 H16 . . 117.4 ?
    C17 C16 H16 . . 117.4 ?
    C18 C17 C22 . . 117.7(7) ?
    C18 C17 C16 . . 122.9(7) ?
    C22 C17 C16 . . 119.3(8) ?
    O6 C18 C19 . . 117.7(8) ?
    O6 C18 C17 . . 124.5(7) ?
    C19 C18 C17 . . 117.8(7) ?
    C18 C19 C20 . . 123.6(9) ?
    C18 C19 H19 . . 118.2 ?
    C20 C19 H19 . . 118.2 ?
    N4 C20 C19 . . 121.9(9) ?
    N4 C20 C21 . . 122.3(8) ?
    C19 C20 C21 . . 115.8(8) ?
    C22 C21 C20 . . 121.4(9) ?
    C22 C21 H21 . . 119.3 ?
    C20 C21 H21 . . 119.3 ?
    C21 C22 C17 . . 123.7(9) ?
    C21 C22 H22 . . 118.2 ?
    C17 C22 H22 . . 118.2 ?
    C24 C23 N4 . . 104.5(10) ?
    C24 C23 H23A . . 110.8 ?
    N4 C23 H23A . . 110.8 ?
    C24 C23 H23B . . 110.8 ?
    N4 C23 H23B . . 110.8 ?
    H23A C23 H23B . . 108.9 ?
    C23 C24 H24A . . 109.5 ?
    C23 C24 H24B . . 109.5 ?
    H24A C24 H24B . . 109.5 ?
    C23 C24 H24C . . 109.5 ?
    H24A C24 H24C . . 109.5 ?
    H24B C24 H24C . . 109.5 ?
    C26 C25 N4 . . 109.4(11) ?
    C26 C25 H25A . . 109.8 ?
    N4 C25 H25A . . 109.8 ?
    C26 C25 H25B . . 109.8 ?
    N4 C25 H25B . . 109.8 ?
    H25A C25 H25B . . 108.2 ?
    C25 C26 H26A . . 109.5 ?
    C25 C26 H26B . . 109.5 ?
    H26A C26 H26B . . 109.5 ?
    C25 C26 H26C . . 109.5 ?
    H26A C26 H26C . . 109.5 ?
    H26B C26 H26C . . 109.5 ?
    C28 C27 H27A . . 109.5 ?
    C28 C27 H27B . . 109.5 ?
    H27A C27 H27B . . 109.5 ?
    C28 C27 H27C . . 109.5 ?
    H27A C27 H27C . . 109.5 ?
    H27B C27 H27C . . 109.5 ?
    O7 C28 C27 . . 126.8(18) ?
    O7 C28 C29 . . 112.6(17) ?
    C27 C28 C29 . . 120.5(16) ?
    C28 C29 H29A . . 109.5 ?
    C28 C29 H29B . . 109.5 ?
    H29A C29 H29B . . 109.5 ?
    C28 C29 H29C . . 109.5 ?
    H29A C29 H29C . . 109.5 ?
    H29B C29 H29C . . 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
    O3 Cu1 Cu2 O6 . . . . -173.8(3) ?
    O2 Cu1 Cu2 O6 . . . . -2.9(3) ?
    N1 Cu1 Cu2 O6 . . . . 14.9(4) ?
    O5 Cu1 Cu2 O6 . . . . -172.3(3) ?
    O3 Cu1 Cu2 O2 . . . . -170.9(3) ?
    N1 Cu1 Cu2 O2 . . . . 17.8(4) ?
    O5 Cu1 Cu2 O2 . . . . -169.3(4) ?
    O3 Cu1 Cu2 O5 . . . . -1.6(3) ?
    O2 Cu1 Cu2 O5 . . . . 169.3(4) ?
    N1 Cu1 Cu2 O5 . . . . -172.8(4) ?
    O3 Cu1 Cu2 N3 . . . . 19.7(4) ?
    O2 Cu1 Cu2 N3 . . . . -169.3(4) ?
    N1 Cu1 Cu2 N3 . . . . -151.5(4) ?
    O5 Cu1 Cu2 N3 . . . . 21.3(4) ?
    O3 Cu1 N1 C3 . . . . 3.2(7) ?
    O2 Cu1 N1 C3 . . . . -172.3(7) ?
    Cu2 Cu1 N1 C3 . . . . 176.8(5) ?
    O3 Cu1 N1 O1 . . . . 175.6(5) ?
    O2 Cu1 N1 O1 . . . . 0.1(5) ?
    Cu2 Cu1 N1 O1 . . . . -10.8(7) ?
    O6 Cu2 N3 C16 . . . . -8.1(7) ?
    O2 Cu2 N3 C16 . . . . 129.1(11) ?
    O5 Cu2 N3 C16 . . . . 175.3(7) ?
    Cu1 Cu2 N3 C16 . . . . 162.0(6) ?
    O6 Cu2 N3 O4 . . . . -177.0(5) ?
    O2 Cu2 N3 O4 . . . . -39.8(15) ?
    O5 Cu2 N3 O4 . . . . 6.4(6) ?
    Cu1 Cu2 N3 O4 . . . . -6.9(7) ?
    C3 N1 O1 C1 . . . . -150.4(6) ?
    Cu1 N1 O1 C1 . . . . 36.0(7) ?
    O3 Cu1 O2 C2 . . . . -163.5(10) ?
    N1 Cu1 O2 C2 . . . . -8.5(6) ?
    O5 Cu1 O2 C2 . . . . 165.3(6) ?
    Cu2 Cu1 O2 C2 . . . . 158.5(7) ?
    O3 Cu1 O2 Cu2 . . . . 38.0(13) ?
    N1 Cu1 O2 Cu2 . . . . -167.0(3) ?
    O5 Cu1 O2 Cu2 . . . . 6.8(2) ?
    O6 Cu2 O2 C2 . . . . 20.1(6) ?
    O5 Cu2 O2 C2 . . . . -164.7(6) ?
    N3 Cu2 O2 C2 . . . . -117.0(12) ?
    Cu1 Cu2 O2 C2 . . . . -157.8(7) ?
    O6 Cu2 O2 Cu1 . . . . 177.9(3) ?
    O5 Cu2 O2 Cu1 . . . . -6.9(2) ?
    N3 Cu2 O2 Cu1 . . . . 40.8(13) ?
    O2 Cu1 O3 C5 . . . . 152.7(11) ?
    N1 Cu1 O3 C5 . . . . -2.4(6) ?
    O5 Cu1 O3 C5 . . . . -177.0(6) ?
    Cu2 Cu1 O3 C5 . . . . -176.0(5) ?
    C16 N3 O4 C14 . . . . 148.0(7) ?
    Cu2 N3 O4 C14 . . . . -41.6(7) ?
    O2 Cu2 O5 C15 . . . . 173.3(6) ?
    N3 Cu2 O5 C15 . . . . 2.3(6) ?
    Cu1 Cu2 O5 C15 . . . . 166.6(7) ?
    O2 Cu2 O5 Cu1 . . . . 6.7(2) ?
    N3 Cu2 O5 Cu1 . . . . -164.3(3) ?
    O3 Cu1 O5 C15 . . . . 12.8(6) ?
    O2 Cu1 O5 C15 . . . . -172.8(7) ?
    Cu2 Cu1 O5 C15 . . . . -166.1(8) ?
    O3 Cu1 O5 Cu2 . . . . 178.8(2) ?
    O2 Cu1 O5 Cu2 . . . . -6.8(2) ?
    O2 Cu2 O6 C18 . . . . -163.7(7) ?
    N3 Cu2 O6 C18 . . . . 8.0(7) ?
    Cu1 Cu2 O6 C18 . . . . -161.9(6) ?
    N1 O1 C1 C2 . . . . -73.6(8) ?
    Cu1 O2 C2 C1 . . . . -18.9(9) ?
    Cu2 O2 C2 C1 . . . . 134.5(6) ?
    O1 C1 C2 O2 . . . . 64.6(9) ?
    O1 N1 C3 C4 . . . . -175.2(7) ?
    Cu1 N1 C3 C4 . . . . -1.9(11) ?
    N1 C3 C4 C5 . . . . -1.2(13) ?
    N1 C3 C4 C9 . . . . -179.8(7) ?
    Cu1 O3 C5 C6 . . . . -177.8(5) ?
    Cu1 O3 C5 C4 . . . . 0.5(11) ?
    C9 C4 C5 O3 . . . . -179.4(7) ?
    C3 C4 C5 O3 . . . . 2.0(13) ?
    C9 C4 C5 C6 . . . . -1.2(12) ?
    C3 C4 C5 C6 . . . . -179.8(8) ?
    O3 C5 C6 C7 . . . . 178.2(7) ?
    C4 C5 C6 C7 . . . . -0.2(13) ?
    C12 N2 C7 C8 . . . . -166.2(9) ?
    C10 N2 C7 C8 . . . . 8.8(13) ?
    C12 N2 C7 C6 . . . . 12.7(13) ?
    C10 N2 C7 C6 . . . . -172.3(8) ?
    C5 C6 C7 C8 . . . . 1.4(14) ?
    C5 C6 C7 N2 . . . . -177.5(8) ?
    N2 C7 C8 C9 . . . . 177.8(8) ?
    C6 C7 C8 C9 . . . . -1.1(13) ?
    C7 C8 C9 C4 . . . . -0.3(13) ?
    C5 C4 C9 C8 . . . . 1.5(12) ?
    C3 C4 C9 C8 . . . . -179.8(7) ?
    C7 N2 C10 C11 . . . . -90.6(11) ?
    C12 N2 C10 C11 . . . . 84.7(11) ?
    C7 N2 C12 C13 . . . . -90.3(10) ?
    C10 N2 C12 C13 . . . . 94.6(10) ?
    N3 O4 C14 C15 . . . . 75.3(7) ?
    Cu2 O5 C15 C14 . . . . 23.7(9) ?
    Cu1 O5 C15 C14 . . . . -173.3(5) ?
    O4 C14 C15 O5 . . . . -65.7(9) ?
    O4 N3 C16 C17 . . . . 175.1(8) ?
    Cu2 N3 C16 C17 . . . . 5.1(13) ?
    N3 C16 C17 C18 . . . . 1.0(15) ?
    N3 C16 C17 C22 . . . . -175.1(8) ?
    Cu2 O6 C18 C19 . . . . 173.8(6) ?
    Cu2 O6 C18 C17 . . . . -5.0(13) ?
    C22 C17 C18 O6 . . . . 175.0(8) ?
    C16 C17 C18 O6 . . . . -1.2(15) ?
    C22 C17 C18 C19 . . . . -3.8(13) ?
    C16 C17 C18 C19 . . . . -179.9(9) ?
    O6 C18 C19 C20 . . . . -175.2(9) ?
    C17 C18 C19 C20 . . . . 3.6(15) ?
    C25 N4 C20 C19 . . . . 11.0(16) ?
    C23 N4 C20 C19 . . . . -162.8(10) ?
    C25 N4 C20 C21 . . . . -166.1(11) ?
    C23 N4 C20 C21 . . . . 20.1(15) ?
    C18 C19 C20 N4 . . . . -179.8(9) ?
    C18 C19 C20 C21 . . . . -2.5(15) ?
    N4 C20 C21 C22 . . . . 179.1(10) ?
    C19 C20 C21 C22 . . . . 1.8(15) ?
    C20 C21 C22 C17 . . . . -2.3(16) ?
    C18 C17 C22 C21 . . . . 3.3(15) ?
    C16 C17 C22 C21 . . . . 179.6(9) ?
    C20 N4 C23 C24 . . . . -98.5(11) ?
    C25 N4 C23 C24 . . . . 87.4(12) ?
    C20 N4 C25 C26 . . . . -93.3(12) ?
    C23 N4 C25 C26 . . . . 80.6(12) ?
