#------------------------------------------------------------------------------
#$Date: 2016-03-23 01:55:03 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179161 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/22/4312289.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_4312289
loop_
_publ_author_name
'Suman Mukhopadhyay'
'Debdas Mandal'
'Pabitra Baran Chatterjee'
'Cédric Desplanches'
'Jean-Pascal Sutter'
'Ray J. Butcher'
'Muktimoy Chaudhury'
_publ_section_title
;
 Bi- and Trinuclear Copper(II) Complexes of a Sterically Constrained
 Phenol-Based Tetradentate Ligand: Syntheses, Structures, and Magnetic
 Studies
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8501
_journal_page_last               8509
_journal_paper_doi               10.1021/ic049271r
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C44 H56 Cu2 N4 O4'
_chemical_formula_weight         832.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 96.656(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.618(3)
_cell_length_b                   12.092(2)
_cell_length_c                   23.066(5)
_cell_measurement_reflns_used    56
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.62
_cell_measurement_theta_min      5.01
_cell_volume                     4049.7(14)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       '2θ/ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0108
_diffrn_reflns_av_sigmaI/netI    0.0249
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       1
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            5979
_diffrn_reflns_theta_full        57.50
_diffrn_reflns_theta_max         57.50
_diffrn_reflns_theta_min         3.41
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.663
_exptl_absorpt_correction_T_max  0.6940
_exptl_absorpt_correction_T_min  0.4507
_exptl_absorpt_correction_type   integration
_exptl_crystal_density_diffrn    1.365
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1752
_refine_diff_density_max         4.156
_refine_diff_density_min         -1.237
_refine_diff_density_rms         0.170
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.095
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     551
_refine_ls_number_reflns         5534
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.1062
_refine_ls_R_factor_gt           0.0957
_refine_ls_shift/su_max          0.041
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1941P)²+1.7480P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2403
_refine_ls_wR_factor_ref         0.2586
_reflns_number_gt                4487
_reflns_number_total             5534
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic049271rsi20040604_114024_1.cif
_cod_data_source_block           compound1
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4050.0(13)
_cod_database_code               4312289
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.39660(4) 0.41385(6) 0.22730(3) 0.0380(3) Uani 1 1 d . . .
Cu2 Cu 0.59924(4) 0.33740(5) 0.26530(3) 0.0377(3) Uani 1 1 d . . .
O1A O 0.4115(2) 0.5076(3) 0.16329(16) 0.0503(9) Uani 1 1 d . . .
O1B O 0.4929(2) 0.4816(3) 0.28017(14) 0.0389(8) Uani 1 1 d . . .
O1C O 0.5884(2) 0.2454(3) 0.33085(16) 0.0509(9) Uani 1 1 d . . .
O1D O 0.5011(2) 0.2680(3) 0.21442(15) 0.0397(8) Uani 1 1 d . . .
N1A N 0.2755(3) 0.3470(3) 0.1908(2) 0.0469(11) Uani 1 1 d . . .
N1B N 0.3389(3) 0.3383(3) 0.2925(2) 0.0456(11) Uani 1 1 d . . .
N1C N 0.7188(3) 0.4088(3) 0.29884(19) 0.0401(10) Uani 1 1 d . . .
N1D N 0.6541(3) 0.4086(3) 0.1970(2) 0.0413(10) Uani 1 1 d . . .
C1A C 0.2616(3) 0.4835(5) 0.1099(2) 0.0481(13) Uani 1 1 d . . .
C2A C 0.3407(3) 0.5467(4) 0.1274(2) 0.0442(12) Uani 1 1 d . . .
C3A C 0.3463(4) 0.6532(4) 0.1052(2) 0.0468(13) Uani 1 1 d . . .
C4A C 0.4321(4) 0.7204(5) 0.1226(3) 0.0666(17) Uani 1 1 d . . .
H4AA H 0.4447 0.7217 0.1644 0.12(3) Uiso 1 1 calc R . .
H4AB H 0.4230 0.7946 0.1083 0.08(2) Uiso 1 1 calc R . .
H4AC H 0.4832 0.6877 0.1063 0.11(3) Uiso 1 1 calc R . .
C5A C 0.2739(4) 0.6939(5) 0.0673(2) 0.0590(16) Uani 1 1 d . . .
H5AA H 0.2789 0.7646 0.0522 0.061(17) Uiso 1 1 calc R . .
C6A C 0.1935(4) 0.6337(5) 0.0508(2) 0.0615(16) Uani 1 1 d . . .
C7A C 0.1173(6) 0.6825(8) 0.0093(4) 0.092(3) Uani 1 1 d . . .
H7AA H 0.0706 0.6276 -0.0005 0.13(3) Uiso 1 1 calc R . .
H7AB H 0.1416 0.7065 -0.0255 0.11(3) Uiso 1 1 calc R . .
H7AC H 0.0911 0.7445 0.0275 0.16(4) Uiso 1 1 calc R . .
C8A C 0.1895(4) 0.5288(5) 0.0727(2) 0.0594(15) Uani 1 1 d . . .
H8AA H 0.1370 0.4865 0.0624 0.057(17) Uiso 1 1 calc R . .
C9A C 0.2571(4) 0.3635(5) 0.1282(3) 0.0576(15) Uani 1 1 d . . .
H9AA H 0.1964 0.3347 0.1148 0.09(2) Uiso 1 1 calc R . .
H9AB H 0.3015 0.3214 0.1090 0.041(13) Uiso 1 1 calc R . .
C10A C 0.2095(3) 0.3994(4) 0.2244(3) 0.0532(15) Uani 1 1 d . . .
H10A H 0.1509 0.3610 0.2182 0.045(14) Uiso 1 1 calc R . .
H10B H 0.1999 0.4757 0.2122 0.035(12) Uiso 1 1 calc R . .
C11A C 0.2830(4) 0.2285(4) 0.2073(3) 0.0595(16) Uani 1 1 d . . .
H11A H 0.3241 0.1906 0.1837 0.053(15) Uiso 1 1 calc R . .
H11B H 0.2230 0.1934 0.2011 0.09(2) Uiso 1 1 calc R . .
C1B C 0.4172(3) 0.4609(5) 0.3662(2) 0.0465(12) Uani 1 1 d . . .
C2B C 0.4659(3) 0.5251(4) 0.3297(2) 0.0408(12) Uani 1 1 d . . .
C3B C 0.4829(3) 0.6362(4) 0.3440(2) 0.0473(13) Uani 1 1 d . . .
C4B C 0.5253(4) 0.7125(5) 0.3029(3) 0.0572(15) Uani 1 1 d . . .
H4BA H 0.4995 0.7851 0.3052 0.058(16) Uiso 1 1 calc R . .
H4BB H 0.5127 0.6851 0.2637 0.08(2) Uiso 1 1 calc R . .
H4BC H 0.5907 0.7157 0.3137 0.12(3) Uiso 1 1 calc R . .
C5B C 0.4583(4) 0.6781(5) 0.3959(3) 0.0567(15) Uani 1 1 d . . .
H5BA H 0.4726 0.7513 0.4055 0.08(2) Uiso 1 1 calc R . .
C6B C 0.4132(4) 0.6153(6) 0.4343(3) 0.0611(16) Uani 1 1 d . . .
C7B C 0.3858(6) 0.6622(8) 0.4910(3) 0.090(3) Uani 1 1 d . . .
H7BA H 0.3777 0.7408 0.4872 0.11(3) Uiso 1 1 calc R . .
H7BB H 0.4332 0.6466 0.5223 0.14(4) Uiso 1 1 calc R . .
H7BC H 0.3291 0.6289 0.4992 0.14(4) Uiso 1 1 calc R . .
C8B C 0.3917(4) 0.5068(6) 0.4178(3) 0.0615(16) Uani 1 1 d . . .
H8BA H 0.3594 0.4634 0.4418 0.08(2) Uiso 1 1 calc R . .
C9B C 0.3920(4) 0.3446(4) 0.3507(2) 0.0504(14) Uani 1 1 d . . .
H9BA H 0.4476 0.3006 0.3511 0.028(11) Uiso 1 1 calc R . .
H9BB H 0.3557 0.3143 0.3796 0.047(14) Uiso 1 1 calc R . .
C10B C 0.3209(4) 0.2231(4) 0.2715(3) 0.0572(15) Uani 1 1 d . . .
H10C H 0.2768 0.1877 0.2937 0.063(17) Uiso 1 1 calc R . .
H10D H 0.3775 0.1805 0.2763 0.075(19) Uiso 1 1 calc R . .
C11B C 0.2480(3) 0.3943(4) 0.2886(3) 0.0491(14) Uani 1 1 d . . .
H11C H 0.2550 0.4683 0.3047 0.08(2) Uiso 1 1 calc R . .
H11D H 0.2065 0.3533 0.3105 0.057(17) Uiso 1 1 calc R . .
C1D C 0.5777(3) 0.2755(4) 0.1279(2) 0.0423(12) Uani 1 1 d . . .
C2D C 0.5299(3) 0.2177(4) 0.1680(2) 0.0400(12) Uani 1 1 d . . .
C3D C 0.5152(3) 0.1034(4) 0.1589(2) 0.0427(12) Uani 1 1 d . . .
C4D C 0.4729(4) 0.0349(4) 0.2032(3) 0.0519(14) Uani 1 1 d . . .
H4DA H 0.4992 -0.0379 0.2046 0.061(17) Uiso 1 1 calc R . .
H4DB H 0.4076 0.0299 0.1924 0.09(2) Uiso 1 1 calc R . .
H4DC H 0.4849 0.0690 0.2409 0.067(18) Uiso 1 1 calc R . .
C5D C 0.5433(3) 0.0543(4) 0.1094(2) 0.0477(13) Uani 1 1 d . . .
H5DA H 0.5309 -0.0205 0.1030 0.060(17) Uiso 1 1 calc R . .
C6D C 0.5888(4) 0.1114(5) 0.0692(2) 0.0510(13) Uani 1 1 d . . .
C7D C 0.6213(6) 0.0529(6) 0.0170(3) 0.0710(18) Uani 1 1 d . . .
H7DA H 0.6870 0.0597 0.0186 0.21(6) Uiso 1 1 calc R . .
H7DB H 0.5927 0.0860 -0.0183 0.13(3) Uiso 1 1 calc R . .
H7DC H 0.6049 -0.0239 0.0178 0.15(4) Uiso 1 1 calc R . .
C8D C 0.6060(4) 0.2214(5) 0.0795(2) 0.0514(13) Uani 1 1 d . . .
H8DA H 0.6374 0.2613 0.0535 0.08(2) Uiso 1 1 calc R . .
C9D C 0.6014(4) 0.3953(4) 0.1396(2) 0.0463(13) Uani 1 1 d . . .
H9DA H 0.6371 0.4228 0.1098 0.048(14) Uiso 1 1 calc R . .
H9DB H 0.5451 0.4384 0.1379 0.054(15) Uiso 1 1 calc R . .
C10D C 0.6682(4) 0.5260(4) 0.2155(2) 0.0473(13) Uani 1 1 d . . .
H10E H 0.6098 0.5648 0.2121 0.051(15) Uiso 1 1 calc R . .
H10F H 0.7085 0.5630 0.1911 0.045(14) Uiso 1 1 calc R . .
C11D C 0.7474(3) 0.3562(4) 0.2016(3) 0.0461(13) Uani 1 1 d . . .
H11E H 0.7880 0.3990 0.1799 0.08(2) Uiso 1 1 calc R . .
H11F H 0.7429 0.2819 0.1857 0.043(14) Uiso 1 1 calc R . .
C2C C 0.6594(3) 0.2133(4) 0.3680(2) 0.0438(12) Uani 1 1 d . . .
C1C C 0.7375(3) 0.2810(4) 0.3837(2) 0.0469(12) Uani 1 1 d . . .
C3C C 0.6582(4) 0.1095(4) 0.3947(2) 0.0462(13) Uani 1 1 d . . .
C6C C 0.8105(4) 0.1389(5) 0.4474(2) 0.0541(14) Uani 1 1 d . . .
C10C C 0.7850(3) 0.3527(4) 0.2653(3) 0.0502(14) Uani 1 1 d . . .
H10G H 0.7933 0.2766 0.2782 0.040(13) Uiso 1 1 calc R . .
H10H H 0.8442 0.3896 0.2713 0.049(15) Uiso 1 1 calc R . .
C5C C 0.7323(4) 0.0748(5) 0.4329(2) 0.0522(14) Uani 1 1 d . . .
H5CA H 0.7298 0.0052 0.4498 0.042(13) Uiso 1 1 calc R . .
C8C C 0.8114(4) 0.2418(5) 0.4217(2) 0.0486(13) Uani 1 1 d . . .
H8CA H 0.8630 0.2865 0.4300 0.049(15) Uiso 1 1 calc R . .
C9C C 0.7383(4) 0.3986(4) 0.3626(2) 0.0515(14) Uani 1 1 d . . .
H9CA H 0.6928 0.4406 0.3807 0.042(13) Uiso 1 1 calc R . .
H9CB H 0.7982 0.4307 0.3749 0.09(2) Uiso 1 1 calc R . .
C11C C 0.7113(4) 0.5250(4) 0.2783(3) 0.0513(14) Uani 1 1 d . . .
H11G H 0.7718 0.5587 0.2814 0.054(16) Uiso 1 1 calc R . .
H11H H 0.6734 0.5670 0.3023 0.058(16) Uiso 1 1 calc R . .
C4C C 0.5736(4) 0.0385(5) 0.3800(3) 0.0664(18) Uani 1 1 d . . .
H4CA H 0.5853 -0.0346 0.3954 0.067(18) Uiso 1 1 calc R . .
H4CB H 0.5591 0.0345 0.3384 0.14(4) Uiso 1 1 calc R . .
H4CC H 0.5226 0.0704 0.3968 0.11(3) Uiso 1 1 calc R . .
C7C C 0.8903(5) 0.0969(7) 0.4883(3) 0.0717(19) Uani 1 1 d . . .
H7CA H 0.8678 0.0623 0.5213 0.12(3) Uiso 1 1 calc R . .
H7CB H 0.9298 0.1575 0.5013 0.13(4) Uiso 1 1 calc R . .
H7CC H 0.9243 0.0439 0.4684 0.15(4) Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cu Cu -1.9646 0.5888 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1A Cu1 O1B 95.56(15) . . ?
O1A Cu1 N1B 160.80(16) . . ?
O1B Cu1 N1B 93.36(16) . . ?
O1A Cu1 N1A 95.07(17) . . ?
O1B Cu1 N1A 164.29(17) . . ?
N1B Cu1 N1A 73.20(19) . . ?
O1A Cu1 O1D 102.29(14) . . ?
O1B Cu1 O1D 87.80(12) . . ?
N1B Cu1 O1D 95.00(14) . . ?
N1A Cu1 O1D 101.20(14) . . ?
O1C Cu2 O1D 96.01(15) . . ?
O1C Cu2 N1C 95.36(16) . . ?
O1D Cu2 N1C 164.61(16) . . ?
O1C Cu2 N1D 159.92(15) . . ?
O1D Cu2 N1D 92.57(15) . . ?
N1C Cu2 N1D 73.46(17) . . ?
O1C Cu2 O1B 101.41(14) . . ?
O1D Cu2 O1B 87.41(12) . . ?
N1C Cu2 O1B 100.46(14) . . ?
N1D Cu2 O1B 97.08(13) . . ?
C2A O1A Cu1 123.0(3) . . ?
C2B O1B Cu1 115.7(3) . . ?
C2B O1B Cu2 131.4(3) . . ?
Cu1 O1B Cu2 92.19(13) . . ?
C2C O1C Cu2 123.8(3) . . ?
C2D O1D Cu2 113.7(3) . . ?
C2D O1D Cu1 134.7(3) . . ?
Cu2 O1D Cu1 92.55(12) . . ?
C10A N1A C9A 114.4(4) . . ?
C10A N1A C11A 108.6(5) . . ?
C9A N1A C11A 112.8(4) . . ?
C10A N1A Cu1 101.9(3) . . ?
C9A N1A Cu1 114.1(3) . . ?
C11A N1A Cu1 104.0(3) . . ?
C9B N1B C11B 113.9(4) . . ?
C9B N1B C10B 113.6(4) . . ?
C11B N1B C10B 106.5(4) . . ?
C9B N1B Cu1 115.6(3) . . ?
C11B N1B Cu1 101.3(3) . . ?
C10B N1B Cu1 104.7(3) . . ?
C9C N1C C10C 115.0(4) . . ?
C9C N1C C11C 113.4(4) . . ?
C10C N1C C11C 107.4(4) . . ?
C9C N1C Cu2 113.9(3) . . ?
C10C N1C Cu2 101.2(3) . . ?
C11C N1C Cu2 104.7(3) . . ?
C9D N1D C10D 113.9(4) . . ?
C9D N1D C11D 113.5(4) . . ?
C10D N1D C11D 106.7(4) . . ?
C9D N1D Cu2 116.1(3) . . ?
C10D N1D Cu2 103.6(3) . . ?
C11D N1D Cu2 101.7(3) . . ?
C8A C1A C2A 120.1(5) . . ?
C8A C1A C9A 119.6(5) . . ?
C2A C1A C9A 120.2(5) . . ?
O1A C2A C3A 118.8(5) . . ?
O1A C2A C1A 122.5(5) . . ?
C3A C2A C1A 118.7(5) . . ?
C5A C3A C2A 119.2(5) . . ?
C5A C3A C4A 121.9(5) . . ?
C2A C3A C4A 118.9(5) . . ?
C3A C5A C6A 123.1(6) . . ?
C8A C6A C5A 116.8(6) . . ?
C8A C6A C7A 122.6(7) . . ?
C5A C6A C7A 120.5(7) . . ?
C6A C8A C1A 122.1(6) . . ?
N1A C9A C1A 113.5(4) . . ?
N1A C10A C11B 107.9(4) . . ?
N1A C11A C10B 107.4(5) . . ?
C2B C1B C8B 119.7(5) . . ?
C2B C1B C9B 120.6(5) . . ?
C8B C1B C9B 119.7(5) . . ?
O1B C2B C3B 120.7(4) . . ?
O1B C2B C1B 120.6(4) . . ?
C3B C2B C1B 118.6(5) . . ?
C5B C3B C2B 119.9(5) . . ?
C5B C3B C4B 119.1(5) . . ?
C2B C3B C4B 120.9(5) . . ?
C3B C5B C6B 122.7(6) . . ?
C5B C6B C8B 116.8(5) . . ?
C5B C6B C7B 122.4(7) . . ?
C8B C6B C7B 120.8(7) . . ?
C6B C8B C1B 122.0(6) . . ?
N1B C9B C1B 111.0(4) . . ?
N1B C10B C11A 107.9(4) . . ?
N1B C11B C10A 107.7(4) . . ?
C8D C1D C2D 120.5(5) . . ?
C8D C1D C9D 120.7(4) . . ?
C2D C1D C9D 118.7(4) . . ?
O1D C2D C1D 121.7(4) . . ?
O1D C2D C3D 120.4(4) . . ?
C1D C2D C3D 117.9(5) . . ?
C5D C3D C2D 119.1(5) . . ?
C5D C3D C4D 120.4(5) . . ?
C2D C3D C4D 120.5(5) . . ?
C6D C5D C3D 123.1(5) . . ?
C8D C6D C5D 117.4(5) . . ?
C8D C6D C7D 121.5(5) . . ?
C5D C6D C7D 121.1(5) . . ?
C6D C8D C1D 121.9(5) . . ?
N1D C9D C1D 110.8(4) . . ?
N1D C10D C11C 107.2(4) . . ?
N1D C11D C10C 107.9(4) . . ?
O1C C2C C3C 119.9(5) . . ?
O1C C2C C1C 122.9(5) . . ?
C3C C2C C1C 117.1(5) . . ?
C8C C1C C2C 120.5(5) . . ?
C8C C1C C9C 119.4(5) . . ?
C2C C1C C9C 120.0(5) . . ?
C5C C3C C2C 120.3(5) . . ?
C5C C3C C4C 122.2(5) . . ?
C2C C3C C4C 117.5(5) . . ?
C8C C6C C5C 116.6(5) . . ?
C8C C6C C7C 122.1(6) . . ?
C5C C6C C7C 121.3(6) . . ?
N1C C10C C11D 108.1(4) . . ?
C3C C5C C6C 123.2(5) . . ?
C6C C8C C1C 122.2(5) . . ?
N1C C9C C1C 113.3(4) . . ?
N1C C11C C10D 108.7(4) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Cu1 O1A 1.894(3) . ?
Cu1 O1B 1.935(3) . ?
Cu1 N1B 2.025(4) . ?
Cu1 N1A 2.037(4) . ?
Cu1 O1D 2.375(3) . ?
Cu2 O1C 1.898(3) . ?
Cu2 O1D 1.936(3) . ?
Cu2 N1C 2.021(4) . ?
Cu2 N1D 2.039(4) . ?
Cu2 O1B 2.387(3) . ?
O1A C2A 1.336(6) . ?
O1B C2B 1.356(6) . ?
O1C C2C 1.325(6) . ?
O1D C2D 1.341(6) . ?
N1A C10A 1.451(7) . ?
N1A C9A 1.452(8) . ?
N1A C11A 1.483(6) . ?
N1B C9B 1.474(7) . ?
N1B C11B 1.484(6) . ?
N1B C10B 1.488(7) . ?
N1C C9C 1.470(7) . ?
N1C C10C 1.472(7) . ?
N1C C11C 1.483(6) . ?
N1D C9D 1.461(7) . ?
N1D C10D 1.490(6) . ?
N1D C11D 1.497(6) . ?
C1A C8A 1.392(8) . ?
C1A C2A 1.405(7) . ?
C1A C9A 1.515(8) . ?
C2A C3A 1.392(7) . ?
C3A C5A 1.382(8) . ?
C3A C4A 1.509(8) . ?
C5A C6A 1.397(9) . ?
C6A C8A 1.370(9) . ?
C6A C7A 1.501(9) . ?
C10A C11B 1.524(8) . ?
C11A C10B 1.520(9) . ?
C1B C2B 1.400(7) . ?
C1B C8B 1.403(8) . ?
C1B C9B 1.487(8) . ?
C2B C3B 1.398(7) . ?
C3B C5B 1.386(8) . ?
C3B C4B 1.506(8) . ?
C5B C6B 1.389(9) . ?
C6B C8B 1.391(9) . ?
C6B C7B 1.521(9) . ?
C1D C8D 1.398(7) . ?
C1D C2D 1.408(7) . ?
C1D C9D 1.507(7) . ?
C2D C3D 1.411(7) . ?
C3D C5D 1.391(7) . ?
C3D C4D 1.502(7) . ?
C5D C6D 1.387(8) . ?
C6D C8D 1.370(8) . ?
C6D C7D 1.518(8) . ?
C10D C11C 1.511(8) . ?
C11D C10C 1.508(8) . ?
C2C C3C 1.400(7) . ?
C2C C1C 1.417(7) . ?
C1C C8C 1.393(7) . ?
C1C C9C 1.504(8) . ?
C3C C5C 1.380(8) . ?
C3C C4C 1.512(8) . ?
C6C C8C 1.378(8) . ?
C6C C5C 1.390(8) . ?
C6C C7C 1.501(8) . ?
