#------------------------------------------------------------------------------
#$Date: 2016-03-26 13:07:49 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180223 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/09/7110943.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the Crystal Eye server at
# http://wwmm.ch.cam.ac.uk/crystaleye/, created by Nick Day at the
# Peter Murray-Rust laboratory.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_7110943
loop_
_publ_author_name
'Fragoso, Alex'
'Kahn, Myrtil L.'
'Sutter, Jean-Pascal'
'Kahn, Olivier'
'Cao, Roberto'
'Castiñeiras, Alfonso'
_publ_section_title
;
 Chiral channels in a 3-D network of self-assembled tetranuclear
 copper(ii) aggregates
;
_journal_issue                   16
_journal_name_full               'Chemical Communications'
_journal_page_first              1547
_journal_paper_doi               10.1039/b002360o
_journal_year                    2000
_chemical_formula_sum            'C52 H72 Cu4 N4 O26'
_chemical_formula_weight         1423.30
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 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                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   18.551(3)
_cell_length_b                   18.551(3)
_cell_length_c                   18.0135(16)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      45.279
_cell_measurement_theta_min      21.414
_cell_volume                     5368.6(13)
_computing_cell_refinement       'CAD4-Express Software (nonius, 1994)'
_computing_data_collection       'CAD4-Express Software (nonius, 1994)'
_computing_data_reduction        'GENHKL (Kretschmar, 1997)'
_computing_molecular_graphics    'PLATON98 (Spek, 1998)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'CAD4 Enraf Nonius'
_diffrn_measurement_method       omega
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54184
_diffrn_reflns_av_R_equivalents  0.0256
_diffrn_reflns_av_sigmaI/netI    0.0850
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            4227
_diffrn_reflns_theta_full        75.95
_diffrn_reflns_theta_max         75.95
_diffrn_reflns_theta_min         2.75
_diffrn_standards_decay_%        0
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.967
_exptl_absorpt_correction_T_max  0.980
_exptl_absorpt_correction_T_min  0.879
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            green
_exptl_crystal_density_diffrn    1.321
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             2208
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.363
_refine_diff_density_min         -0.573
_refine_diff_density_rms         0.087
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -0.02(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     396
_refine_ls_number_reflns         4099
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.003
_refine_ls_R_factor_all          0.0931
_refine_ls_R_factor_gt           0.0541
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0799P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1339
_refine_ls_wR_factor_ref         0.1476
_reflns_number_gt                2769
_reflns_number_total             4099
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b002360osup1.cif
_cod_data_source_block           98af01
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Trigonal' changed to 'trigonal'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from
2011-04-26.

'_exptl_absorpt_correction_type' value 'Psi scan'
changed to 'psi-scan' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0799P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0799P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        5368.9(15)
_cod_original_sg_symbol_H-M      'P3(1)2(1) (No. 152)'
_cod_database_code               7110943
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z+1/3'
'-x+y, -x, z-1/3'
'x-y, -y, -z-1/3'
'-x, -x+y, -z+1/3'
'y, x, -z'
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_calc_flag
_atom_site_refinement_flags
Cu1 Cu 0.48793(7) 0.60392(6) 0.02166(6) 0.0322(3) Uani 1 d .
Cu2 Cu 0.43966(7) 0.42467(6) 0.09983(5) 0.0328(3) Uani 1 d .
O11 O 0.4920(4) 0.6658(3) -0.0669(3) 0.0420(13) Uani 1 d .
O19 O 0.5097(3) 0.5460(3) 0.1016(3) 0.0376(12) Uani 1 d .
O20 O 0.4940(3) 0.5464(3) 0.2611(3) 0.0417(13) Uani 1 d .
H20 H 0.4650 0.5548 0.2320 0.063 Uiso 1 calc R
O21 O 0.5544(4) 0.4355(3) 0.1797(3) 0.0423(14) Uani 1 d .
H21 H 0.5616 0.4557 0.1380 0.064 Uiso 1 calc R
O22 O 0.6273(4) 0.5271(4) 0.3622(3) 0.0605(18) Uani 1 d .
H22 H 0.6582 0.5164 0.3864 0.091 Uiso 1 calc R
O23 O 0.6899(5) 0.4284(5) 0.3030(4) 0.069(2) Uani 1 d .
H23 H 0.7060 0.4009 0.3259 0.103 Uiso 1 calc R
O31 O 0.3730(4) 0.4318(4) 0.1790(3) 0.0439(14) Uani 1 d .
O39 O 0.4052(3) 0.4971(3) -0.0168(2) 0.0312(11) Uani 1 d .
O40 O 0.3603(3) 0.5996(3) 0.0561(3) 0.0381(12) Uani 1 d .
H40 H 0.360(6) 0.597(6) 0.110(6) 0.08(3) Uiso 1 d .
O41 O 0.2062(3) 0.5471(4) -0.0181(3) 0.0479(15) Uani 1 d .
H41 H 0.1593 0.5410 -0.0205 0.072 Uiso 1 calc R
O42 O 0.1947(4) 0.4849(5) 0.1765(3) 0.068(2) Uani 1 d .
H42 H 0.1501 0.4579 0.1982 0.102 Uiso 1 calc R
O43 O 0.0403(4) 0.4229(4) 0.0995(3) 0.0547(16) Uani 1 d .
H43 H 0.0620 0.4037 0.0722 0.082 Uiso 1 calc R
N11 N 0.5667(4) 0.7032(4) 0.0740(3) 0.0424(16) Uani 1 d .
N31 N 0.3656(4) 0.3050(4) 0.0929(3) 0.0360(14) Uani 1 d .
C11 C 0.5355(5) 0.7465(5) -0.0762(4) 0.0394(18) Uani 1 d .
C12 C 0.5279(6) 0.7801(6) -0.1443(5) 0.047(2) Uani 1 d .
H12 H 0.4938 0.7450 -0.1817 0.056 Uiso 1 calc R
C13 C 0.5714(7) 0.8651(6) -0.1549(6) 0.072(3) Uani 1 d .
H13 H 0.5665 0.8861 -0.2003 0.086 Uiso 1 calc R
C14 C 0.6205(9) 0.9192(7) -0.1026(6) 0.100(5) Uani 1 d .
H14 H 0.6468 0.9761 -0.1116 0.120 Uiso 1 calc R
C15 C 0.6321(8) 0.8891(6) -0.0339(5) 0.082(4) Uani 1 d .
H15 H 0.6682 0.9256 0.0017 0.098 Uiso 1 calc R
C16 C 0.5882(5) 0.8033(5) -0.0209(4) 0.045(2) Uani 1 d .
C17 C 0.6031(6) 0.7792(5) 0.0504(4) 0.048(2) Uani 1 d .
H17 H 0.6414 0.8206 0.0816 0.058 Uiso 1 calc R
C18 C 0.5835(5) 0.6849(5) 0.1491(4) 0.0403(19) Uani 1 d .
H18A H 0.5432 0.6844 0.1836 0.048 Uiso 1 calc R
H18B H 0.6386 0.7275 0.1648 0.048 Uiso 1 calc R
C19 C 0.5781(5) 0.5993(5) 0.1487(4) 0.0337(16) Uani 1 d .
H19 H 0.6293 0.6059 0.1264 0.040 Uiso 1 calc R
C20 C 0.5723(5) 0.5684(5) 0.2264(4) 0.0373(17) Uani 1 d .
H20A H 0.6146 0.6160 0.2547 0.045 Uiso 1 calc R
C21 C 0.5960(5) 0.5009(5) 0.2333(4) 0.0397(18) Uani 1 d .
H21A H 0.6558 0.5273 0.2232 0.048 Uiso 1 calc R
C22 C 0.5814(6) 0.4611(5) 0.3092(4) 0.0408(19) Uani 1 d .
H22A H 0.5220 0.4356 0.3208 0.049 Uiso 1 calc R
C23 C 0.6054(7) 0.3963(7) 0.3158(5) 0.062(3) Uani 1 d .
H23A H 0.5917 0.3723 0.3652 0.074 Uiso 1 calc R
H23B H 0.5738 0.3523 0.2804 0.074 Uiso 1 calc R
C31 C 0.3093(5) 0.3722(5) 0.2153(4) 0.0410(19) Uani 1 d .
C32 C 0.2762(6) 0.3928(6) 0.2741(5) 0.052(2) Uani 1 d .
H32 H 0.2993 0.4483 0.2879 0.062 Uiso 1 calc R
C33 C 0.2095(6) 0.3325(8) 0.3129(5) 0.069(3) Uani 1 d .
H33 H 0.1888 0.3481 0.3530 0.082 Uiso 1 calc R
C34 C 0.1713(7) 0.2468(7) 0.2937(6) 0.072(3) Uani 1 d .
H34 H 0.1279 0.2065 0.3220 0.087 Uiso 1 calc R
C35 C 0.2006(6) 0.2250(7) 0.2314(6) 0.067(3) Uani 1 d .
H35 H 0.1737 0.1703 0.2144 0.081 Uiso 1 calc R
C36 C 0.2735(5) 0.2887(5) 0.1936(4) 0.0427(19) Uani 1 d .
C37 C 0.3039(5) 0.2598(5) 0.1357(4) 0.046(2) Uani 1 d .
H37 H 0.2765 0.2026 0.1278 0.055 Uiso 1 calc R
C38 C 0.3912(5) 0.2658(5) 0.0343(4) 0.0357(16) Uani 1 d .
H38A H 0.3616 0.2607 -0.0115 0.043 Uiso 1 calc R
H38B H 0.3788 0.2106 0.0498 0.043 Uiso 1 calc R
C39 C 0.3206(5) 0.4832(5) -0.0228(4) 0.0321(16) Uani 1 d .
H39 H 0.3169 0.5131 -0.0661 0.038 Uiso 1 calc R
C40 C 0.2979(5) 0.5142(5) 0.0473(4) 0.0357(17) Uani 1 d .
H40A H 0.3014 0.4832 0.0898 0.043 Uiso 1 calc R
C41 C 0.2111(5) 0.5013(5) 0.0449(4) 0.0359(17) Uani 1 d .
H41A H 0.1722 0.4420 0.0364 0.043 Uiso 1 calc R
C42 C 0.1841(5) 0.5274(6) 0.1146(4) 0.0396(19) Uani 1 d .
H42A H 0.2200 0.5875 0.1216 0.048 Uiso 1 calc R
C43 C 0.0956(5) 0.5075(6) 0.1112(4) 0.0435(19) Uani 1 d .
H43A H 0.0814 0.5243 0.1574 0.052 Uiso 1 calc R
H43B H 0.0895 0.5392 0.0714 0.052 Uiso 1 calc R
O1 O 0.3027(5) 0.6380(5) -0.1371(4) 0.080(2) Uani 1 d .
H1B H 0.267(5) 0.665(5) -0.134(4) 0.03(2) Uiso 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Cu Cu -1.9646 0.5888 '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'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
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
O39 Cu1 N11 171.7(2) . . y
O39 Cu1 O11 95.0(2) . . y
N11 Cu1 O11 92.9(2) . . y
O39 Cu1 O19 88.7(2) . . y
N11 Cu1 O19 84.2(2) . . y
O11 Cu1 O19 166.0(2) . . y
O39 Cu1 O40 78.11(19) . . y
N11 Cu1 O40 99.7(2) . . y
O11 Cu1 O40 88.8(2) . . y
O19 Cu1 O40 105.2(2) . . y
O39 Cu1 Cu2 56.08(15) . . ?
N11 Cu1 Cu2 116.64(18) . . ?
O11 Cu1 Cu2 148.94(17) . . ?
O19 Cu1 Cu2 32.64(14) . . ?
O40 Cu1 Cu2 95.16(14) . . ?
O39 Cu1 O19 61.36(16) . 6 ?
N11 Cu1 O19 122.6(2) . 6 ?
O11 Cu1 O19 80.50(19) . 6 ?
O19 Cu1 O19 89.58(16) . 6 ?
O40 Cu1 O19 136.61(15) . 6 ?
Cu2 Cu1 O19 75.56(9) . 6 ?
O39 Cu1 Cu2 28.30(14) . 6 ?
N11 Cu1 Cu2 156.2(2) . 6 ?
O11 Cu1 Cu2 84.05(17) . 6 ?
O19 Cu1 Cu2 93.13(14) . 6 ?
O40 Cu1 Cu2 103.86(13) . 6 ?
Cu2 Cu1 Cu2 65.08(4) . 6 ?
O19 Cu1 Cu2 33.57(9) 6 6 ?
O39 Cu1 Cu1 74.37(15) . 6 ?
N11 Cu1 Cu1 105.5(2) . 6 ?
O11 Cu1 Cu1 107.40(18) . 6 ?
O19 Cu1 Cu1 60.68(16) . 6 ?
O40 Cu1 Cu1 149.04(13) . 6 ?
Cu2 Cu1 Cu1 57.50(3) . 6 ?
O19 Cu1 Cu1 30.88(9) 6 6 ?
Cu2 Cu1 Cu1 53.77(3) 6 6 ?
O31 Cu2 N31 90.8(2) . . y
O31 Cu2 O19 89.4(2) . . y
N31 Cu2 O19 176.1(2) . . y
O31 Cu2 O39 173.7(2) . 6 y
N31 Cu2 O39 83.1(2) . 6 y
O19 Cu2 O39 96.6(2) . 6 y
O31 Cu2 O21 96.8(2) . . y
N31 Cu2 O21 102.5(2) . . y
O19 Cu2 O21 81.3(2) . . y
O39 Cu2 O21 86.22(19) 6 . y
O31 Cu2 O39 102.57(19) . . ?
N31 Cu2 O39 107.8(2) . . ?
O19 Cu2 O39 68.36(18) . . ?
O39 Cu2 O39 77.8(2) 6 . ?
O21 Cu2 O39 143.46(17) . . ?
O31 Cu2 Cu1 96.11(17) . . ?
N31 Cu2 Cu1 143.58(19) . . ?
O19 Cu2 Cu1 32.59(14) . . ?
O39 Cu2 Cu1 87.82(15) 6 . ?
O21 Cu2 Cu1 112.04(13) . . ?
O39 Cu2 Cu1 35.79(11) . . ?
O31 Cu2 Cu1 158.64(18) . 6 ?
N31 Cu2 Cu1 110.35(18) . 6 ?
O19 Cu2 Cu1 69.71(16) . 6 ?
O39 Cu2 Cu1 27.61(14) 6 6 ?
O21 Cu2 Cu1 76.40(13) . 6 ?
O39 Cu2 Cu1 74.30(10) . 6 ?
Cu1 Cu2 Cu1 68.73(4) . 6 ?
O31 Cu2 Cu2 130.47(17) . 6 ?
N31 Cu2 Cu2 89.22(18) . 6 ?
O19 Cu2 Cu2 87.71(14) . 6 ?
O39 Cu2 Cu2 48.05(14) 6 6 ?
O21 Cu2 Cu2 131.36(13) . 6 ?
O39 Cu2 Cu2 32.42(10) . 6 ?
Cu1 Cu2 Cu2 59.46(3) . 6 ?
Cu1 Cu2 Cu2 55.46(3) 6 6 ?
C11 O11 Cu1 126.9(5) . . ?
C19 O19 Cu1 114.4(4) . . ?
C19 O19 Cu2 130.7(4) . . ?
Cu1 O19 Cu2 114.8(2) . . y
C19 O19 Cu1 101.0(4) . 6 ?
Cu1 O19 Cu1 88.44(17) . 6 ?
Cu2 O19 Cu1 76.72(16) . 6 ?
C20 O20 H20 109.5 . . ?
C21 O21 Cu2 122.1(4) . . ?
C21 O21 H21 109.5 . . ?
Cu2 O21 H21 56.4 . . ?
C22 O22 H22 109.5 . . ?
C23 O23 H23 109.5 . . ?
C31 O31 Cu2 130.1(5) . . ?
C39 O39 Cu1 116.2(4) . . ?
C39 O39 Cu2 108.6(4) . 6 ?
Cu1 O39 Cu2 124.1(2) . 6 y
C39 O39 Cu2 117.6(4) . . ?
Cu1 O39 Cu2 88.13(17) . . ?
Cu2 O39 Cu2 99.5(2) 6 . ?
C40 O40 Cu1 104.3(4) . . ?
C40 O40 H40 94(6) . . ?
Cu1 O40 H40 104(6) . . ?
C41 O41 H41 109.5 . . ?
C42 O42 H42 109.5 . . ?
C43 O43 H43 109.5 . . ?
C17 N11 C18 120.0(7) . . ?
C17 N11 Cu1 127.9(5) . . ?
C18 N11 Cu1 112.1(5) . . ?
C37 N31 C38 120.4(6) . . ?
C37 N31 Cu2 126.7(5) . . ?
C38 N31 Cu2 112.8(4) . . ?
O11 C11 C12 118.3(7) . . ?
O11 C11 C16 124.1(7) . . ?
C12 C11 C16 117.6(7) . . ?
C13 C12 C11 119.6(9) . . ?
C13 C12 H12 120.2 . . ?
C11 C12 H12 120.2 . . ?
C14 C13 C12 123.1(10) . . ?
C14 C13 H13 118.4 . . ?
C12 C13 H13 118.4 . . ?
C13 C14 C15 119.8(10) . . ?
C13 C14 H14 120.1 . . ?
C15 C14 H14 120.1 . . ?
C16 C15 C14 118.6(9) . . ?
C16 C15 H15 120.7 . . ?
C14 C15 H15 120.7 . . ?
C15 C16 C11 121.2(8) . . ?
C15 C16 C17 114.4(8) . . ?
C11 C16 C17 124.3(7) . . ?
N11 C17 C16 123.9(8) . . ?
N11 C17 H17 118.0 . . ?
C16 C17 H17 118.0 . . ?
N11 C18 C19 108.9(6) . . ?
N11 C18 H18A 109.9 . . ?
C19 C18 H18A 109.9 . . ?
N11 C18 H18B 109.9 . . ?
C19 C18 H18B 109.9 . . ?
H18A C18 H18B 108.3 . . ?
O19 C19 C20 114.9(6) . . ?
O19 C19 C18 107.0(6) . . ?
C20 C19 C18 110.3(6) . . ?
O19 C19 H19 108.2 . . ?
C20 C19 H19 108.2 . . ?
C18 C19 H19 108.2 . . ?
O20 C20 C19 112.6(6) . . ?
O20 C20 C21 113.3(6) . . ?
C19 C20 C21 113.3(6) . . ?
O20 C20 H20A 105.6 . . ?
C19 C20 H20A 105.6 . . ?
C21 C20 H20A 105.6 . . ?
O21 C21 C22 107.8(6) . . ?
O21 C21 C20 112.7(6) . . ?
C22 C21 C20 114.7(6) . . ?
O21 C21 H21A 107.0 . . ?
C22 C21 H21A 107.0 . . ?
C20 C21 H21A 107.0 . . ?
O22 C22 C23 110.1(7) . . ?
O22 C22 C21 107.4(6) . . ?
C23 C22 C21 114.5(7) . . ?
O22 C22 H22A 108.2 . . ?
C23 C22 H22A 108.2 . . ?
C21 C22 H22A 108.2 . . ?
O23 C23 C22 111.8(8) . . ?
O23 C23 H23A 109.3 . . ?
C22 C23 H23A 109.3 . . ?
O23 C23 H23B 109.3 . . ?
C22 C23 H23B 109.3 . . ?
H23A C23 H23B 107.9 . . ?
O31 C31 C32 119.3(8) . . ?
O31 C31 C36 121.2(7) . . ?
C32 C31 C36 119.5(8) . . ?
C31 C32 C33 120.9(10) . . ?
C31 C32 H32 119.6 . . ?
C33 C32 H32 119.6 . . ?
C32 C33 C34 121.9(9) . . ?
C32 C33 H33 119.0 . . ?
C34 C33 H33 119.0 . . ?
C35 C34 C33 118.2(9) . . ?
C35 C34 H34 120.9 . . ?
C33 C34 H34 120.9 . . ?
C34 C35 C36 118.8(10) . . ?
C34 C35 H35 120.6 . . ?
C36 C35 H35 120.6 . . ?
C31 C36 C37 124.5(7) . . ?
C31 C36 C35 120.3(8) . . ?
C37 C36 C35 115.2(9) . . ?
N31 C37 C36 126.2(8) . . ?
N31 C37 H37 116.9 . . ?
C36 C37 H37 116.9 . . ?
N31 C38 C39 107.4(6) . 6 ?
N31 C38 H38A 110.2 . . ?
C39 C38 H38A 110.2 6 . ?
N31 C38 H38B 110.2 . . ?
C39 C38 H38B 110.2 6 . ?
H38A C38 H38B 108.5 . . ?
O39 C39 C38 105.6(6) . 6 ?
O39 C39 C40 110.2(5) . . ?
C38 C39 C40 112.5(6) 6 . ?
O39 C39 H39 109.4 . . ?
C38 C39 H39 109.4 6 . ?
C40 C39 H39 109.4 . . ?
O40 C40 C41 112.9(7) . . ?
O40 C40 C39 106.5(6) . . ?
C41 C40 C39 112.9(6) . . ?
O40 C40 H40A 108.1 . . ?
C41 C40 H40A 108.1 . . ?
C39 C40 H40A 108.1 . . ?
O41 C41 C40 107.8(6) . . ?
O41 C41 C42 109.5(6) . . ?
C40 C41 C42 114.9(6) . . ?
O41 C41 H41A 108.1 . . ?
C40 C41 H41A 108.1 . . ?
C42 C41 H41A 108.1 . . ?
O42 C42 C43 109.3(6) . . ?
O42 C42 C41 108.1(7) . . ?
C43 C42 C41 112.6(7) . . ?
O42 C42 H42A 108.9 . . ?
C43 C42 H42A 108.9 . . ?
C41 C42 H42A 108.9 . . ?
O43 C43 C42 112.6(7) . . ?
O43 C43 H43A 109.1 . . ?
C42 C43 H43A 109.1 . . ?
O43 C43 H43B 109.1 . . ?
C42 C43 H43B 109.1 . . ?
H43A C43 H43B 107.8 . . ?
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 O39 1.929(5) . y
Cu1 N11 1.930(7) . y
Cu1 O11 1.945(5) . y
Cu1 O19 1.955(5) . y
Cu1 O40 2.410(5) . y
Cu1 Cu2 3.2962(15) . y
Cu1 O19 3.321(5) 6 y
Cu1 Cu2 3.4462(15) 6 y
Cu1 Cu1 3.808(2) 6 y
Cu2 O31 1.934(5) . y
Cu2 N31 1.945(6) . y
Cu2 O19 1.958(5) . y
Cu2 O39 1.973(5) 6 y
Cu2 O21 2.493(5) . y
Cu2 O39 2.737(5) . y
Cu2 Cu1 3.4462(15) 6 y
Cu2 Cu2 3.629(2) 6 y
O11 C11 1.308(9) . ?
O19 C19 1.433(8) . ?
O19 Cu1 3.321(5) 6 y
O20 C20 1.440(9) . ?
O20 H20 0.8200 . ?
O21 C21 1.437(9) . ?
O21 H21 0.8200 . ?
O22 C22 1.447(10) . ?
O22 H22 0.8200 . ?
O23 C23 1.390(12) . ?
O23 H23 0.8200 . ?
O31 C31 1.320(9) . ?
O39 C39 1.460(9) . ?
O39 Cu2 1.973(5) 6 y
O40 C40 1.429(9) . ?
O40 H40 0.97(10) . ?
O41 C41 1.447(8) . ?
O41 H41 0.8200 . ?
O42 C42 1.434(9) . ?
O42 H42 0.8200 . ?
O43 C43 1.397(11) . ?
O43 H43 0.8200 . ?
N11 C17 1.292(10) . ?
N11 C18 1.465(8) . ?
N31 C37 1.283(10) . ?
N31 C38 1.489(9) . ?
C11 C12 1.414(10) . ?
C11 C16 1.425(11) . ?
C12 C13 1.380(12) . ?
C12 H12 0.9300 . ?
C13 C14 1.344(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.418(13) . ?
C14 H14 0.9300 . ?
C15 C16 1.398(12) . ?
C15 H15 0.9300 . ?
C16 C17 1.432(10) . ?
C17 H17 0.9300 . ?
C18 C19 1.541(10) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 C20 1.496(9) . ?
C19 H19 0.9800 . ?
C20 C21 1.525(11) . ?
C20 H20A 0.9800 . ?
C21 C22 1.513(9) . ?
C21 H21A 0.9800 . ?
C22 C23 1.482(12) . ?
C22 H22A 0.9800 . ?
C23 H23A 0.9700 . ?
C23 H23B 0.9700 . ?
C31 C32 1.369(11) . ?
C31 C36 1.402(12) . ?
C32 C33 1.374(13) . ?
C32 H32 0.9300 . ?
C33 C34 1.421(15) . ?
C33 H33 0.9300 . ?
C34 C35 1.393(14) . ?
C34 H34 0.9300 . ?
C35 C36 1.446(12) . ?
C35 H35 0.9300 . ?
C36 C37 1.413(11) . ?
C37 H37 0.9300 . ?
C38 C39 1.501(10) 6 ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
C39 C38 1.501(10) 6 ?
C39 C40 1.532(10) . ?
C39 H39 0.9800 . ?
C40 C41 1.506(10) . ?
C40 H40A 0.9800 . ?
C41 C42 1.519(10) . ?
C41 H41A 0.9800 . ?
C42 C43 1.492(10) . ?
C42 H42A 0.9800 . ?
C43 H43A 0.9700 . ?
C43 H43B 0.9700 . ?
O1 H1B 1.01(8) . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O21 H21 O11 0.82 2.13 2.707(8) 127.7 6
O21 H21 O19 0.82 2.41 2.929(7) 122.5 .
O21 H21 O39 0.82 2.44 3.075(6) 135.0 6
O22 H22 O42 0.82 2.11 2.836(8) 148.3 4_666
O23 H23 O41 0.82 2.43 3.200(9) 156.3 5_655
O40 H40 O1 0.97(10) 1.99(10) 2.792(9) 139(9) 2_665
O41 H41 O20 0.82 1.98 2.738(7) 152.7 3_565
O42 H42 O22 0.82 2.20 2.836(8) 134.1 4_566
O1 H1B O42 1.01(8) 2.45(8) 3.246(12) 135(6) 3_565
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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
O39 Cu1 Cu2 O31 -103.0(2) . .
N11 Cu1 Cu2 O31 72.4(3) . .
O11 Cu1 Cu2 O31 -127.3(4) . .
O19 Cu1 Cu2 O31 79.2(3) . .
O40 Cu1 Cu2 O31 -31.1(2) . .
O19 Cu1 Cu2 O31 -168.0(2) 6 .
Cu2 Cu1 Cu2 O31 -134.01(17) 6 .
Cu1 Cu1 Cu2 O31 164.46(18) 6 .
O39 Cu1 Cu2 N31 -3.3(3) . .
N11 Cu1 Cu2 N31 172.2(4) . .
O11 Cu1 Cu2 N31 -27.6(5) . .
O19 Cu1 Cu2 N31 178.9(4) . .
O40 Cu1 Cu2 N31 68.6(3) . .
O19 Cu1 Cu2 N31 -68.3(3) 6 .
Cu2 Cu1 Cu2 N31 -34.3(3) 6 .
Cu1 Cu1 Cu2 N31 -95.8(3) 6 .
O39 Cu1 Cu2 O19 177.8(3) . .
N11 Cu1 Cu2 O19 -6.7(4) . .
O11 Cu1 Cu2 O19 153.5(5) . .
O40 Cu1 Cu2 O19 -110.3(3) . .
O19 Cu1 Cu2 O19 112.8(3) 6 .
Cu2 Cu1 Cu2 O19 146.8(3) 6 .
Cu1 Cu1 Cu2 O19 85.3(3) 6 .
O39 Cu1 Cu2 O39 72.0(2) . 6
N11 Cu1 Cu2 O39 -112.5(3) . 6
O11 Cu1 Cu2 O39 47.7(4) . 6
O19 Cu1 Cu2 O39 -105.8(3) . 6
O40 Cu1 Cu2 O39 143.94(19) . 6
O19 Cu1 Cu2 O39 7.05(17) 6 6
Cu2 Cu1 Cu2 O39 41.04(14) 6 6
Cu1 Cu1 Cu2 O39 -20.49(14) 6 6
O39 Cu1 Cu2 O21 157.0(2) . .
N11 Cu1 Cu2 O21 -27.5(3) . .
O11 Cu1 Cu2 O21 132.8(4) . .
O19 Cu1 Cu2 O21 -20.8(3) . .
O40 Cu1 Cu2 O21 -131.02(18) . .
O19 Cu1 Cu2 O21 92.08(16) 6 .
Cu2 Cu1 Cu2 O21 126.07(14) 6 .
Cu1 Cu1 Cu2 O21 64.54(13) 6 .
N11 Cu1 Cu2 O39 175.5(3) . .
O11 Cu1 Cu2 O39 -24.3(4) . .
O19 Cu1 Cu2 O39 -177.8(3) . .
O40 Cu1 Cu2 O39 71.9(2) . .
O19 Cu1 Cu2 O39 -64.96(19) 6 .
Cu2 Cu1 Cu2 O39 -30.96(17) 6 .
Cu1 Cu1 Cu2 O39 -92.49(17) 6 .
O39 Cu1 Cu2 Cu1 92.49(17) . 6
N11 Cu1 Cu2 Cu1 -92.0(2) . 6
O11 Cu1 Cu2 Cu1 68.2(4) . 6
O19 Cu1 Cu2 Cu1 -85.3(3) . 6
O40 Cu1 Cu2 Cu1 164.43(13) . 6
O19 Cu1 Cu2 Cu1 27.53(9) 6 6
Cu2 Cu1 Cu2 Cu1 61.53(4) 6 6
O39 Cu1 Cu2 Cu2 30.96(17) . 6
N11 Cu1 Cu2 Cu2 -153.6(2) . 6
O11 Cu1 Cu2 Cu2 6.7(3) . 6
O19 Cu1 Cu2 Cu2 -146.8(3) . 6
O40 Cu1 Cu2 Cu2 102.90(13) . 6
O19 Cu1 Cu2 Cu2 -34.00(9) 6 6
Cu1 Cu1 Cu2 Cu2 -61.53(4) 6 6
O39 Cu1 O11 C11 176.4(6) . .
N11 Cu1 O11 C11 -1.2(7) . .
O19 Cu1 O11 C11 -78.5(11) . .
O40 Cu1 O11 C11 98.4(6) . .
Cu2 Cu1 O11 C11 -163.6(5) . .
O19 Cu1 O11 C11 -123.8(6) 6 .
Cu2 Cu1 O11 C11 -157.5(6) 6 .
Cu1 Cu1 O11 C11 -108.4(6) 6 .
O39 Cu1 O19 C19 174.2(5) . .
N11 Cu1 O19 C19 -10.0(5) . .
O11 Cu1 O19 C19 68.4(11) . .
O40 Cu1 O19 C19 -108.5(5) . .
Cu2 Cu1 O19 C19 176.0(7) . .
O19 Cu1 O19 C19 112.8(5) 6 .
Cu2 Cu1 O19 C19 146.2(5) 6 .
Cu1 Cu1 O19 C19 101.4(5) 6 .
O39 Cu1 O19 Cu2 -1.8(3) . .
N11 Cu1 O19 Cu2 174.0(3) . .
O11 Cu1 O19 Cu2 -107.7(9) . .
O40 Cu1 O19 Cu2 75.5(3) . .
O19 Cu1 O19 Cu2 -63.2(3) 6 .
Cu2 Cu1 O19 Cu2 -29.8(3) 6 .
Cu1 Cu1 O19 Cu2 -74.6(2) 6 .
O39 Cu1 O19 Cu1 72.76(17) . 6
N11 Cu1 O19 Cu1 -111.5(2) . 6
O11 Cu1 O19 Cu1 -33.1(9) . 6
O40 Cu1 O19 Cu1 150.07(14) . 6
Cu2 Cu1 O19 Cu1 74.6(2) . 6
O19 Cu1 O19 Cu1 11.40(17) 6 6
Cu2 Cu1 O19 Cu1 44.80(10) 6 6
O31 Cu2 O19 C19 82.4(6) . .
N31 Cu2 O19 C19 175(3) . .
O39 Cu2 O19 C19 -99.7(6) 6 .
O21 Cu2 O19 C19 -14.6(6) . .
O39 Cu2 O19 C19 -173.8(6) . .
Cu1 Cu2 O19 C19 -175.2(8) . .
Cu1 Cu2 O19 C19 -93.2(6) 6 .
Cu2 Cu2 O19 C19 -147.1(6) 6 .
O31 Cu2 O19 Cu1 -102.4(3) . .
N31 Cu2 O19 Cu1 -10(4) . .
O39 Cu2 O19 Cu1 75.4(3) 6 .
O21 Cu2 O19 Cu1 160.6(3) . .
O39 Cu2 O19 Cu1 1.4(2) . .
Cu1 Cu2 O19 Cu1 82.0(2) 6 .
Cu2 Cu2 O19 Cu1 28.1(2) 6 .
O31 Cu2 O19 Cu1 175.62(18) . 6
N31 Cu2 O19 Cu1 -92(4) . 6
O39 Cu2 O19 Cu1 -6.52(16) 6 6
O21 Cu2 O19 Cu1 78.62(14) . 6
O39 Cu2 O19 Cu1 -80.58(13) . 6
Cu1 Cu2 O19 Cu1 -82.0(2) . 6
Cu2 Cu2 O19 Cu1 -53.83(6) 6 6
O31 Cu2 O21 C21 -51.4(5) . .
N31 Cu2 O21 C21 -143.8(5) . .
O19 Cu2 O21 C21 36.9(5) . .
O39 Cu2 O21 C21 134.1(5) 6 .
O39 Cu2 O21 C21 70.6(6) . .
Cu1 Cu2 O21 C21 48.0(5) . .
Cu1 Cu2 O21 C21 108.0(5) 6 .
Cu2 Cu2 O21 C21 116.1(5) 6 .
N31 Cu2 O31 C31 6.9(7) . .
O19 Cu2 O31 C31 -177.0(7) . .
O39 Cu2 O31 C31 23(2) 6 .
O21 Cu2 O31 C31 -95.8(7) . .
O39 Cu2 O31 C31 115.4(6) . .
Cu1 Cu2 O31 C31 151.1(6) . .
Cu1 Cu2 O31 C31 -165.6(5) 6 .
Cu2 Cu2 O31 C31 96.6(7) 6 .
N11 Cu1 O39 C39 90.7(19) . .
O11 Cu1 O39 C39 -72.2(5) . .
O19 Cu1 O39 C39 121.3(4) . .
O40 Cu1 O39 C39 15.5(4) . .
Cu2 Cu1 O39 C39 120.1(5) . .
O19 Cu1 O39 C39 -148.5(5) 6 .
Cu2 Cu1 O39 C39 -139.7(6) 6 .
Cu1 Cu1 O39 C39 -178.9(4) 6 .
N11 Cu1 O39 Cu2 -129.7(17) . 6
O11 Cu1 O39 Cu2 67.5(3) . 6
O19 Cu1 O39 Cu2 -99.1(3) . 6
O40 Cu1 O39 Cu2 155.1(3) . 6
Cu2 Cu1 O39 Cu2 -100.2(3) . 6
O19 Cu1 O39 Cu2 -8.8(2) 6 6
Cu1 Cu1 O39 Cu2 -39.2(2) 6 6
N11 Cu1 O39 Cu2 -29.4(19) . .
O11 Cu1 O39 Cu2 167.7(2) . .
O19 Cu1 O39 Cu2 1.19(19) . .
O40 Cu1 O39 Cu2 -104.62(17) . .
O19 Cu1 O39 Cu2 91.42(16) 6 .
Cu2 Cu1 O39 Cu2 100.2(3) 6 .
Cu1 Cu1 O39 Cu2 61.04(9) 6 .
O31 Cu2 O39 C39 -35.8(5) . .
N31 Cu2 O39 C39 59.2(5) . .
O19 Cu2 O39 C39 -120.1(5) . .
O39 Cu2 O39 C39 137.7(4) 6 .
O21 Cu2 O39 C39 -156.2(4) . .
Cu1 Cu2 O39 C39 -118.8(5) . .
Cu1 Cu2 O39 C39 166.0(4) 6 .
Cu2 Cu2 O39 C39 116.9(5) 6 .
O31 Cu2 O39 Cu1 82.9(2) . .
N31 Cu2 O39 Cu1 177.9(2) . .
O19 Cu2 O39 Cu1 -1.3(2) . .
O39 Cu2 O39 Cu1 -103.50(13) 6 .
O21 Cu2 O39 Cu1 -37.4(3) . .
Cu1 Cu2 O39 Cu1 -75.26(14) 6 .
Cu2 Cu2 O39 Cu1 -124.3(3) 6 .
O31 Cu2 O39 Cu2 -152.8(2) . 6
N31 Cu2 O39 Cu2 -57.8(3) . 6
O19 Cu2 O39 Cu2 123.0(2) . 6
O39 Cu2 O39 Cu2 20.8(3) 6 6
O21 Cu2 O39 Cu2 86.9(3) . 6
Cu1 Cu2 O39 Cu2 124.3(3) . 6
Cu1 Cu2 O39 Cu2 49.01(15) 6 6
O39 Cu1 O40 C40 15.1(4) . .
N11 Cu1 O40 C40 -156.8(4) . .
O11 Cu1 O40 C40 110.5(4) . .
O19 Cu1 O40 C40 -70.2(4) . .
Cu2 Cu1 O40 C40 -38.6(4) . .
O19 Cu1 O40 C40 35.8(5) 6 .
Cu2 Cu1 O40 C40 27.0(4) 6 .
Cu1 Cu1 O40 C40 -12.5(6) 6 .
O39 Cu1 N11 C17 -162.8(15) . .
O11 Cu1 N11 C17 0.1(8) . .
O19 Cu1 N11 C17 166.5(8) . .
O40 Cu1 N11 C17 -89.1(8) . .
Cu2 Cu1 N11 C17 170.1(7) . .
O19 Cu1 N11 C17 80.7(8) 6 .
Cu2 Cu1 N11 C17 81.9(9) 6 .
Cu1 Cu1 N11 C17 109.1(8) 6 .
O39 Cu1 N11 C18 17(2) . .
O11 Cu1 N11 C18 180.0(6) . .
O19 Cu1 N11 C18 -13.7(5) . .
O40 Cu1 N11 C18 90.8(6) . .
Cu2 Cu1 N11 C18 -10.1(6) . .
O19 Cu1 N11 C18 -99.5(5) 6 .
Cu2 Cu1 N11 C18 -98.3(6) 6 .
Cu1 Cu1 N11 C18 -71.1(6) 6 .
O31 Cu2 N31 C37 -5.4(7) . .
O19 Cu2 N31 C37 -98(4) . .
O39 Cu2 N31 C37 176.3(7) 6 .
O21 Cu2 N31 C37 91.8(7) . .
O39 Cu2 N31 C37 -108.9(7) . .
Cu1 Cu2 N31 C37 -106.9(7) . .
Cu1 Cu2 N31 C37 171.7(7) 6 .
Cu2 Cu2 N31 C37 -135.9(7) 6 .
O31 Cu2 N31 C38 179.5(5) . .
O19 Cu2 N31 C38 87(4) . .
O39 Cu2 N31 C38 1.2(5) 6 .
O21 Cu2 N31 C38 -83.3(5) . .
O39 Cu2 N31 C38 76.0(5) . .
Cu1 Cu2 N31 C38 78.0(6) . .
Cu1 Cu2 N31 C38 -3.4(5) 6 .
Cu2 Cu2 N31 C38 49.0(5) 6 .
Cu1 O11 C11 C12 -177.9(6) . .
Cu1 O11 C11 C16 -0.2(12) . .
O11 C11 C12 C13 178.3(9) . .
C16 C11 C12 C13 0.5(13) . .
C11 C12 C13 C14 -1.2(18) . .
C12 C13 C14 C15 3(2) . .
C13 C14 C15 C16 -3(2) . .
C14 C15 C16 C11 2.7(18) . .
C14 C15 C16 C17 -179.1(11) . .
O11 C11 C16 C15 -179.0(10) . .
C12 C11 C16 C15 -1.3(14) . .
O11 C11 C16 C17 3.0(15) . .
C12 C11 C16 C17 -179.3(9) . .
C18 N11 C17 C16 -177.6(8) . .
Cu1 N11 C17 C16 2.3(14) . .
C15 C16 C17 N11 177.8(10) . .
C11 C16 C17 N11 -4.1(15) . .
C17 N11 C18 C19 -147.3(8) . .
Cu1 N11 C18 C19 32.8(8) . .
Cu1 O19 C19 C20 152.2(5) . .
Cu2 O19 C19 C20 -32.6(9) . .
Cu1 O19 C19 C20 -114.5(6) 6 .
Cu1 O19 C19 C18 29.4(7) . .
Cu2 O19 C19 C18 -155.4(5) . .
Cu1 O19 C19 C18 122.7(5) 6 .
N11 C18 C19 O19 -39.4(8) . .
N11 C18 C19 C20 -165.0(6) . .
O19 C19 C20 O20 -51.6(9) . .
C18 C19 C20 O20 69.3(8) . .
O19 C19 C20 C21 78.5(9) . .
C18 C19 C20 C21 -160.5(7) . .
Cu2 O21 C21 C22 118.3(6) . .
Cu2 O21 C21 C20 -9.4(8) . .
O20 C20 C21 O21 80.5(7) . .
C19 C20 C21 O21 -49.3(9) . .
O20 C20 C21 C22 -43.4(9) . .
C19 C20 C21 C22 -173.2(7) . .
O21 C21 C22 O22 176.9(6) . .
C20 C21 C22 O22 -56.6(9) . .
O21 C21 C22 C23 54.2(10) . .
C20 C21 C22 C23 -179.3(8) . .
O22 C22 C23 O23 -59.6(9) . .
C21 C22 C23 O23 61.6(10) . .
Cu2 O31 C31 C32 174.4(6) . .
Cu2 O31 C31 C36 -7.2(11) . .
O31 C31 C32 C33 179.6(8) . .
C36 C31 C32 C33 1.2(13) . .
C31 C32 C33 C34 -0.8(15) . .
C32 C33 C34 C35 -3.0(16) . .
C33 C34 C35 C36 6.2(16) . .
O31 C31 C36 C37 3.9(13) . .
C32 C31 C36 C37 -177.7(8) . .
O31 C31 C36 C35 -176.3(8) . .
C32 C31 C36 C35 2.1(13) . .
C34 C35 C36 C31 -5.9(15) . .
C34 C35 C36 C37 174.0(9) . .
C38 N31 C37 C36 179.4(7) . .
Cu2 N31 C37 C36 4.7(13) . .
C31 C36 C37 N31 -2.9(14) . .
C35 C36 C37 N31 177.3(9) . .
C37 N31 C38 C39 -150.3(7) . 6
Cu2 N31 C38 C39 25.2(7) . 6
Cu1 O39 C39 C38 -165.7(4) . 6
Cu2 O39 C39 C38 48.8(6) 6 6
Cu2 O39 C39 C38 -63.2(6) . 6
Cu1 O39 C39 C40 -43.9(7) . .
Cu2 O39 C39 C40 170.6(5) 6 .
Cu2 O39 C39 C40 58.7(7) . .
Cu1 O40 C40 C41 -163.7(5) . .
Cu1 O40 C40 C39 -39.1(6) . .
O39 C39 C40 O40 55.7(7) . .
C38 C39 C40 O40 173.4(6) 6 .
O39 C39 C40 C41 -179.7(6) . .
C38 C39 C40 C41 -62.1(8) 6 .
O40 C40 C41 O41 60.7(8) . .
C39 C40 C41 O41 -60.3(8) . .
O40 C40 C41 C42 -61.7(9) . .
C39 C40 C41 C42 177.3(6) . .
O41 C41 C42 O42 -176.4(6) . .
C40 C41 C42 O42 -54.9(9) . .
O41 C41 C42 C43 62.8(9) . .
C40 C41 C42 C43 -175.8(7) . .
O42 C42 C43 O43 -62.6(8) . .
C41 C42 C43 O43 57.5(9) . .
