#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:39:32 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180048 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/42/7034277.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_7034277
loop_
_publ_author_name
'Chen, Lianfen'
'Kang, Jian'
'Cui, Hao'
'Wang, Yingxia'
'Liu, Lan'
'Zhang, Li'
'Su, Cheng-Yong'
_publ_section_title
;
 Homochiral coordination cages assembled from dinuclear paddlewheel nodes
 and enantiopure ditopic ligands: syntheses, structures and catalysis.
;
_journal_issue                   27
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              12180
_journal_page_last               12188
_journal_paper_doi               10.1039/c4dt03782k
_journal_volume                  44
_journal_year                    2015
_chemical_absolute_configuration rm
_chemical_formula_sum            'C72 H66 Cl2 Cu4 N8 O43'
_chemical_formula_weight         2056.39
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           150
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  'P 3 2"'
_symmetry_space_group_name_H-M   'P 3 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-01-26 deposited with the CCDC.
2015-02-19 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                120.00
_cell_formula_units_Z            3
_cell_length_a                   26.9979(4)
_cell_length_b                   26.9979(4)
_cell_length_c                   13.0953(2)
_cell_measurement_reflns_used    20168
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      65.1910
_cell_measurement_theta_min      3.7640
_cell_volume                     8266.2(2)
_computing_cell_refinement
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_collection
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_data_reduction
;
CrysAlisPro, Agilent Technologies,
Version 1.171.36.32 (release 02-08-2013 CrysAlis171 .NET)
(compiled Aug  2 2013,16:46:58)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150.00(10)
_diffrn_detector_area_resol_mean 10.6525
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0447
_diffrn_reflns_av_unetI/netI     0.0297
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       -31
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            38856
_diffrn_reflns_theta_full        64.90
_diffrn_reflns_theta_max         64.90
_diffrn_reflns_theta_min         3.27
_exptl_absorpt_coefficient_mu    2.008
_exptl_absorpt_correction_T_max  0.8559
_exptl_absorpt_correction_T_min  0.7394
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            blue
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3144
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.08
_platon_squeeze_details
;
;
_refine_diff_density_max         0.446
_refine_diff_density_min         -0.696
_refine_diff_density_rms         0.091
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.00(6)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.060
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     591
_refine_ls_number_reflns         9279
_refine_ls_number_restraints     40
_refine_ls_restrained_S_all      1.060
_refine_ls_R_factor_all          0.0824
_refine_ls_R_factor_gt           0.0807
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0949P)²+25.0326P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2077
_refine_ls_wR_factor_ref         0.2092
_reflns_number_gt                8939
_reflns_number_total             9279
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03782k2.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7034276--7034279.cif.'
_cod_database_code               7034277
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'y, x, -z'
'-x, -x+y, -z'
'x-y, -y, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Cu1 Cu 0.24977(7) 0.24977(7) 0.0000 0.0979(9) Uani 1 2 d S A .
Cu2 Cu 0.34534(6) 0.34534(6) 0.0000 0.0519(4) Uani 1 2 d S . .
Cu3 Cu 0.55545(5) 0.55545(5) 0.0000 0.0319(3) Uani 1 2 d S . .
Cu4 Cu 0.65061(5) 0.65061(5) 0.0000 0.0451(4) Uani 1 2 d S B .
O1 O 0.2557(4) 0.2546(4) 0.1504(8) 0.109(3) Uani 1 1 d . . .
O2 O 0.3407(3) 0.3353(3) 0.1451(5) 0.0649(15) Uani 1 1 d . A .
O3 O 0.3711(4) 0.3987(6) 0.3964(5) 0.151(5) Uani 1 1 d D . .
O4 O 0.6124(4) 0.5491(5) 0.3298(5) 0.109(3) Uani 1 1 d . . .
O5 O 0.6767(2) 0.6061(3) 0.0789(4) 0.0617(14) Uani 1 1 d . . .
O6 O 0.5935(2) 0.5242(2) 0.0802(4) 0.0493(11) Uani 1 1 d . B .
O7 O 0.6139(3) 0.4049(3) 0.1520(5) 0.0772(18) Uani 1 1 d . B .
O8 O 0.3796(5) 0.2536(5) 0.2588(12) 0.191(8) Uani 1 1 d D . .
O9 O 0.3041(3) 0.2192(2) 0.0009(7) 0.087(2) Uani 1 1 d . . .
O10 O 0.3864(2) 0.3046(2) -0.0079(5) 0.0597(13) Uani 1 1 d . A .
O11 O 0.5126(3) 0.2756(2) 0.0435(4) 0.0602(14) Uani 1 1 d U . .
O12 O 0.6758(2) 0.4966(2) -0.1275(4) 0.0526(12) Uani 1 1 d . . .
O13 O 0.57994(19) 0.53662(19) -0.1241(3) 0.0408(9) Uani 1 1 d . B .
O14 O 0.6623(2) 0.6194(2) -0.1288(4) 0.0525(12) Uani 1 1 d . . .
O15 O 0.5540(3) 0.4646(3) -0.3936(4) 0.080(2) Uani 1 1 d . B .
O16 O 0.3927(2) 0.2476(3) -0.2208(5) 0.0741(17) Uani 1 1 d . B .
O17 O 0.1730(5) 0.1730(5) 0.0000 0.173(8) Uani 1 2 d S . .
H17 H 0.1711 0.1541 0.0524 0.260 Uiso 0.50 1 calc PR A .
O18 O 0.7299(3) 0.7299(3) 0.0000 0.109(4) Uani 1 2 d S . .
H18 H 0.7487 0.7318 -0.0524 0.163 Uiso 0.50 1 calc PR B .
O19A O 0.4304(6) 0.4304(6) 0.0000 0.057(4) Uani 0.50 2 d SP A 2
O19B O 0.4673(7) 0.4673(7) 0.0000 0.051(4) Uani 0.50 2 d SP B 1
N1 N 0.6280(3) 0.4850(4) 0.2366(4) 0.0626(19) Uani 1 1 d . B .
N2 N 0.3632(4) 0.3189(5) 0.3394(8) 0.121(5) Uani 1 1 d DU A .
N3 N 0.6210(2) 0.4933(2) -0.2658(4) 0.0391(11) Uani 1 1 d . B .
N4 N 0.4426(3) 0.2524(3) -0.0772(6) 0.0565(16) Uani 1 1 d . A .
C1 C 0.4835(4) 0.3902(5) 0.1875(7) 0.076(3) Uani 1 1 d . B .
H1 H 0.4743 0.3808 0.1176 0.091 Uiso 1 1 calc R . .
C2 C 0.6038(6) 0.5023(8) 0.3124(6) 0.104(5) Uani 1 1 d . B .
C3 C 0.3942(6) 0.3734(7) 0.3767(7) 0.123(5) Uani 1 1 d DU A .
C4 C 0.5580(5) 0.3970(6) 0.3036(6) 0.094(4) Uani 1 1 d . B .
H4 H 0.5705 0.3762 0.3509 0.113 Uiso 1 1 calc R . .
C5 C 0.6710(4) 0.5256(4) 0.1670(5) 0.061(2) Uani 1 1 d . . .
H5 H 0.6802 0.5030 0.1176 0.073 Uiso 1 1 calc R B .
C6 C 0.4995(5) 0.4409(6) 0.3482(6) 0.094(4) Uani 1 1 d . B .
H6 H 0.4999 0.4752 0.3781 0.113 Uiso 1 1 calc R . .
C7 C 0.7262(5) 0.5666(6) 0.2214(7) 0.095(4) Uani 1 1 d . B .
H7A H 0.7403 0.5448 0.2593 0.142 Uiso 1 1 calc R . .
H7B H 0.7191 0.5903 0.2689 0.142 Uiso 1 1 calc R . .
H7C H 0.7549 0.5911 0.1710 0.142 Uiso 1 1 calc R . .
C8 C 0.6446(4) 0.5552(4) 0.1052(5) 0.0541(18) Uani 1 1 d . B .
C9 C 0.6034(4) 0.4285(6) 0.2204(6) 0.083(4) Uani 1 1 d . . .
C10 C 0.5562(6) 0.4449(7) 0.3589(7) 0.103(4) Uani 1 1 d . . .
H10 H 0.5644 0.4435 0.4329 0.124 Uiso 1 1 calc R B .
C11 C 0.4829(4) 0.4340(5) 0.2316(5) 0.066(3) Uani 1 1 d . . .
H11 H 0.4735 0.4589 0.1963 0.080 Uiso 1 1 calc R B .
C12 C 0.3981(5) 0.2965(6) 0.3096(11) 0.139(6) Uani 1 1 d DU . .
C13 C 0.4556(4) 0.3872(6) 0.3986(6) 0.104(4) Uani 1 1 d DU . .
H13 H 0.4627 0.3881 0.4737 0.125 Uiso 1 1 calc R B .
C14 C 0.4574(5) 0.3349(6) 0.3449(9) 0.126(5) Uani 1 1 d DU B .
H14 H 0.4683 0.3145 0.3962 0.151 Uiso 1 1 calc R . .
C15 C 0.3021(6) 0.2910(7) 0.3044(9) 0.112(5) Uani 1 1 d . . .
H15 H 0.2893 0.3180 0.3285 0.134 Uiso 1 1 calc R A .
C16 C 0.5000(6) 0.3562(7) 0.2584(10) 0.121(6) Uani 1 1 d . . .
H16 H 0.5003 0.3239 0.2216 0.146 Uiso 1 1 calc R B .
C17 C 0.3000(5) 0.2946(5) 0.1872(9) 0.083(3) Uani 1 1 d . A .
C18 C 0.2621(7) 0.2366(9) 0.3561(16) 0.179(10) Uani 1 1 d . A .
H18A H 0.2238 0.2212 0.3269 0.268 Uiso 1 1 calc R . .
H18B H 0.2609 0.2437 0.4292 0.268 Uiso 1 1 calc R . .
H18C H 0.2753 0.2091 0.3465 0.268 Uiso 1 1 calc R . .
C19 C 0.6284(3) 0.5725(3) -0.1639(5) 0.0384(13) Uani 1 1 d . B .
C20 C 0.6413(3) 0.5548(3) -0.2696(6) 0.0501(16) Uani 1 1 d . . .
H20 H 0.6184 0.5614 -0.3224 0.060 Uiso 1 1 calc R B .
C21 C 0.7030(4) 0.5887(4) -0.2990(6) 0.067(2) Uani 1 1 d . B .
H21A H 0.7084 0.5761 -0.3663 0.100 Uiso 1 1 calc R . .
H21B H 0.7262 0.5826 -0.2484 0.100 Uiso 1 1 calc R . .
H21C H 0.7148 0.6294 -0.3017 0.100 Uiso 1 1 calc R . .
C22 C 0.5785(3) 0.4538(3) -0.3259(5) 0.0484(17) Uani 1 1 d . . .
C23 C 0.5662(4) 0.3944(3) -0.2960(5) 0.0529(18) Uani 1 1 d . B .
H23 H 0.5751 0.3760 -0.3539 0.064 Uiso 1 1 calc R . .
C24 C 0.6069(3) 0.4050(3) -0.2054(4) 0.0385(13) Uani 1 1 d . . .
H24 H 0.6336 0.3905 -0.2213 0.046 Uiso 1 1 calc R B .
C25 C 0.6391(3) 0.4681(3) -0.1901(5) 0.0416(14) Uani 1 1 d . B .
C26 C 0.5714(3) 0.3759(3) -0.1072(5) 0.0460(15) Uani 1 1 d . B .
H26 H 0.5962 0.3847 -0.0454 0.055 Uiso 1 1 calc R . .
C27 C 0.5383(3) 0.3115(3) -0.1317(5) 0.0453(15) Uani 1 1 d . . .
H27 H 0.5652 0.2972 -0.1475 0.054 Uiso 1 1 calc R B .
C28 C 0.4973(3) 0.3004(3) -0.2223(5) 0.0510(16) Uani 1 1 d . B .
H28 H 0.5044 0.2796 -0.2784 0.061 Uiso 1 1 calc R . .
C29 C 0.5034(3) 0.3570(3) -0.2622(6) 0.0496(17) Uani 1 1 d . . .
H29 H 0.4759 0.3507 -0.3186 0.060 Uiso 1 1 calc R B .
C30 C 0.4946(3) 0.3862(3) -0.1699(6) 0.0510(17) Uani 1 1 d . B .
H30 H 0.4650 0.3955 -0.1667 0.061 Uiso 1 1 calc R . .
C31 C 0.5302(3) 0.3972(3) -0.0970(5) 0.0458(16) Uani 1 1 d . . .
H31 H 0.5304 0.4181 -0.0386 0.055 Uiso 1 1 calc R B .
C32 C 0.4991(3) 0.2783(3) -0.0411(7) 0.0554(19) Uani 1 1 d U A .
C33 C 0.4382(3) 0.2637(3) -0.1772(8) 0.064(2) Uani 1 1 d . . .
C34 C 0.3946(4) 0.2215(3) -0.0071(9) 0.072(3) Uani 1 1 d . . .
H34 H 0.4090 0.2224 0.0636 0.087 Uiso 1 1 calc R A .
C35 C 0.3593(5) 0.1576(4) -0.0470(11) 0.095(4) Uani 1 1 d . A .
H35A H 0.3834 0.1400 -0.0446 0.143 Uiso 1 1 calc R . .
H35B H 0.3470 0.1574 -0.1175 0.143 Uiso 1 1 calc R . .
H35C H 0.3256 0.1359 -0.0035 0.143 Uiso 1 1 calc R . .
C36 C 0.3572(4) 0.2500(4) -0.0087(9) 0.078(3) Uani 1 1 d . A .
Cl1 Cl 0.53778(15) 0.24753(16) 0.4860(3) 0.1075(10) Uani 1 1 d . . .
O20 O 0.5585(5) 0.2514(5) 0.6033(8) 0.149(4) Uani 1 1 d . . .
O21 O 0.4918(9) 0.1900(7) 0.4782(15) 0.243(8) Uani 1 1 d . . .
O22 O 0.5158(9) 0.2806(8) 0.5150(10) 0.222(9) Uani 1 1 d . . .
O23 O 0.5630(10) 0.2642(7) 0.4020(15) 0.298(14) Uani 1 1 d . . .
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'
Cl Cl 0.3639 0.7018 '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'
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'
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
O1 Cu1 O1 171.6(5) . 4
O1 Cu1 O9 90.3(3) . 4
O1 Cu1 O9 88.3(3) 4 4
O1 Cu1 O9 88.3(3) . .
O1 Cu1 O9 90.3(3) 4 .
O9 Cu1 O9 161.7(4) 4 .
O1 Cu1 O17 94.2(2) . .
O1 Cu1 O17 94.2(2) 4 .
O9 Cu1 O17 99.14(18) 4 .
O9 Cu1 O17 99.14(18) . .
O1 Cu1 Cu2 85.8(2) . .
O1 Cu1 Cu2 85.8(2) 4 .
O9 Cu1 Cu2 80.86(18) 4 .
O9 Cu1 Cu2 80.86(18) . .
O17 Cu1 Cu2 180.0(7) . .
O2 Cu2 O2 168.1(4) 4 .
O2 Cu2 O10 89.3(2) 4 4
O2 Cu2 O10 90.8(2) . 4
O2 Cu2 O10 90.8(2) 4 .
O2 Cu2 O10 89.3(2) . .
O10 Cu2 O10 179.7(4) 4 .
O2 Cu2 O19A 96.0(2) 4 .
O2 Cu2 O19A 96.0(2) . .
O10 Cu2 O19A 89.87(17) 4 .
O10 Cu2 O19A 89.87(17) . .
O2 Cu2 Cu1 84.0(2) 4 .
O2 Cu2 Cu1 84.0(2) . .
O10 Cu2 Cu1 90.13(17) 4 .
O10 Cu2 Cu1 90.13(17) . .
O19A Cu2 Cu1 180.0(8) . .
O13 Cu3 O13 175.4(3) 4 .
O13 Cu3 O6 90.88(19) 4 4
O13 Cu3 O6 88.90(19) . 4
O13 Cu3 O6 88.90(19) 4 .
O13 Cu3 O6 90.88(19) . .
O6 Cu3 O6 174.5(3) 4 .
O13 Cu3 O19B 92.28(14) 4 .
O13 Cu3 O19B 92.28(14) . .
O6 Cu3 O19B 92.74(16) 4 .
O6 Cu3 O19B 92.74(16) . .
O13 Cu3 Cu4 87.72(14) 4 .
O13 Cu3 Cu4 87.72(14) . .
O6 Cu3 Cu4 87.26(16) 4 .
O6 Cu3 Cu4 87.26(16) . .
O19B Cu3 Cu4 180.0(8) . .
O5 Cu4 O5 165.4(4) 4 .
O5 Cu4 O14 90.3(2) 4 4
O5 Cu4 O14 87.7(2) . 4
O5 Cu4 O14 87.7(2) 4 .
O5 Cu4 O14 90.3(2) . .
O14 Cu4 O14 164.7(3) 4 .
O5 Cu4 O18 97.28(18) 4 .
O5 Cu4 O18 97.28(18) . .
O14 Cu4 O18 97.67(15) 4 .
O14 Cu4 O18 97.67(15) . .
O5 Cu4 Cu3 82.72(18) 4 .
O5 Cu4 Cu3 82.72(18) . .
O14 Cu4 Cu3 82.33(15) 4 .
O14 Cu4 Cu3 82.33(15) . .
O18 Cu4 Cu3 180.00(11) . .
C17 O1 Cu1 117.2(7) . .
C17 O2 Cu2 122.6(8) . .
C8 O5 Cu4 123.7(5) . .
C8 O6 Cu3 120.1(5) . .
C36 O9 Cu1 123.6(5) . .
C36 O10 Cu2 117.5(5) . .
C19 O13 Cu3 120.0(4) . .
C19 O14 Cu4 124.5(4) . .
Cu1 O17 H17 109.5 . .
Cu4 O18 H18 109.5 . .
C9 N1 C2 116.4(10) . .
C9 N1 C5 120.8(6) . .
C2 N1 C5 122.0(10) . .
C3 N2 C12 112.5(9) . .
C3 N2 C15 125.0(9) . .
C12 N2 C15 120.3(12) . .
C22 N3 C25 112.6(5) . .
C22 N3 C20 124.1(6) . .
C25 N3 C20 122.9(6) . .
C33 N4 C32 114.0(7) . .
C33 N4 C34 125.4(7) . .
C32 N4 C34 120.4(8) . .
C11 C1 C16 114.2(10) . .
C11 C1 H1 122.9 . .
C16 C1 H1 122.9 . .
O4 C2 N1 128.1(14) . .
O4 C2 C10 127.6(9) . .
N1 C2 C10 103.8(12) . .
O3 C3 N2 119.6(13) . .
O3 C3 C13 130.4(14) . .
N2 C3 C13 109.4(9) . .
C10 C4 C16 110.2(9) . .
C10 C4 C9 102.9(10) . .
C16 C4 C9 111.9(8) . .
C10 C4 H4 110.5 . .
C16 C4 H4 110.5 . .
C9 C4 H4 110.5 . .
N1 C5 C7 112.3(7) . .
N1 C5 C8 108.5(6) . .
C7 C5 C8 114.1(9) . .
N1 C5 H5 107.2 . .
C7 C5 H5 107.2 . .
C8 C5 H5 107.2 . .
C10 C6 C13 108.5(9) . .
C10 C6 C11 108.7(7) . .
C13 C6 C11 105.8(10) . .
C10 C6 H6 111.2 . .
C13 C6 H6 111.2 . .
C11 C6 H6 111.2 . .
C5 C7 H7A 109.5 . .
C5 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C5 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
O6 C8 O5 126.1(7) . .
O6 C8 C5 115.7(8) . .
O5 C8 C5 118.0(7) . .
O7 C9 N1 127.0(9) . .
O7 C9 C4 124.3(12) . .
N1 C9 C4 108.7(9) . .
C6 C10 C4 111.6(12) . .
C6 C10 C2 110.0(9) . .
C4 C10 C2 107.6(8) . .
C6 C10 H10 109.2 . .
C4 C10 H10 109.2 . .
C2 C10 H10 109.2 . .
C1 C11 C6 113.6(7) . .
C1 C11 H11 123.2 . .
C6 C11 H11 123.2 . .
O8 C12 N2 121.5(12) . .
O8 C12 C14 128.8(11) . .
N2 C12 C14 109.6(11) . .
C6 C13 C3 113.0(8) . .
C6 C13 C14 107.6(7) . .
C3 C13 C14 102.1(9) . .
C6 C13 H13 111.2 . .
C3 C13 H13 111.2 . .
C14 C13 H13 111.2 . .
C12 C14 C16 112.6(12) . .
C12 C14 C13 104.7(7) . .
C16 C14 C13 110.3(10) . .
C12 C14 H14 109.7 . .
C16 C14 H14 109.7 . .
C13 C14 H14 109.7 . .
C18 C15 N2 115.4(11) . .
C18 C15 C17 119.1(16) . .
N2 C15 C17 109.7(9) . .
C18 C15 H15 103.4 . .
N2 C15 H15 103.4 . .
C17 C15 H15 103.4 . .
C14 C16 C4 107.4(12) . .
C14 C16 C1 106.9(7) . .
C4 C16 C1 108.1(10) . .
C14 C16 H16 111.4 . .
C4 C16 H16 111.4 . .
C1 C16 H16 111.4 . .
O2 C17 O1 130.2(11) . .
O2 C17 C15 117.3(12) . .
O1 C17 C15 112.5(10) . .
C15 C18 H18A 109.5 . .
C15 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C15 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O14 C19 O13 125.5(6) . .
O14 C19 C20 119.0(6) . .
O13 C19 C20 115.3(6) . .
N3 C20 C21 111.8(6) . .
N3 C20 C19 107.6(5) . .
C21 C20 C19 113.1(6) . .
N3 C20 H20 108.0 . .
C21 C20 H20 108.0 . .
C19 C20 H20 108.0 . .
C20 C21 H21A 109.5 . .
C20 C21 H21B 109.5 . .
H21A C21 H21B 109.5 . .
C20 C21 H21C 109.5 . .
H21A C21 H21C 109.5 . .
H21B C21 H21C 109.5 . .
O15 C22 N3 125.1(6) . .
O15 C22 C23 125.5(6) . .
N3 C22 C23 109.4(6) . .
C22 C23 C29 110.8(6) . .
C22 C23 C24 104.1(6) . .
C29 C23 C24 110.4(6) . .
C22 C23 H23 110.4 . .
C29 C23 H23 110.4 . .
C24 C23 H23 110.4 . .
C25 C24 C23 105.7(5) . .
C25 C24 C26 109.0(5) . .
C23 C24 C26 109.8(5) . .
C25 C24 H24 110.8 . .
C23 C24 H24 110.8 . .
C26 C24 H24 110.8 . .
O12 C25 N3 122.2(6) . .
O12 C25 C24 129.7(6) . .
N3 C25 C24 108.1(5) . .
C31 C26 C27 109.3(6) . .
C31 C26 C24 105.5(5) . .
C27 C26 C24 105.1(5) . .
C31 C26 H26 112.2 . .
C27 C26 H26 112.2 . .
C24 C26 H26 112.2 . .
C26 C27 C32 109.8(6) . .
C26 C27 C28 109.5(5) . .
C32 C27 C28 105.1(6) . .
C26 C27 H27 110.8 . .
C32 C27 H27 110.8 . .
C28 C27 H27 110.8 . .
C33 C28 C29 109.7(6) . .
C33 C28 C27 104.2(6) . .
C29 C28 C27 110.9(6) . .
C33 C28 H28 110.6 . .
C29 C28 H28 110.6 . .
C27 C28 H28 110.6 . .
C30 C29 C23 107.0(6) . .
C30 C29 C28 106.0(6) . .
C23 C29 C28 106.6(6) . .
C30 C29 H29 112.3 . .
C23 C29 H29 112.3 . .
C28 C29 H29 112.3 . .
C31 C30 C29 114.6(6) . .
C31 C30 H30 122.7 . .
C29 C30 H30 122.7 . .
C30 C31 C26 117.6(6) . .
C30 C31 H31 121.2 . .
C26 C31 H31 121.2 . .
O11 C32 N4 125.2(8) . .
O11 C32 C27 127.9(7) . .
N4 C32 C27 106.9(7) . .
O16 C33 N4 123.7(8) . .
O16 C33 C28 126.4(9) . .
N4 C33 C28 109.9(6) . .
N4 C34 C36 108.8(7) . .
N4 C34 C35 107.0(8) . .
C36 C34 C35 110.5(7) . .
N4 C34 H34 110.2 . .
C36 C34 H34 110.2 . .
C35 C34 H34 110.2 . .
C34 C35 H35A 109.5 . .
C34 C35 H35B 109.5 . .
H35A C35 H35B 109.5 . .
C34 C35 H35C 109.5 . .
H35A C35 H35C 109.5 . .
H35B C35 H35C 109.5 . .
O9 C36 O10 127.4(8) . .
O9 C36 C34 118.9(7) . .
O10 C36 C34 113.2(7) . .
O23 Cl1 O22 110.3(11) . .
O23 Cl1 O21 110.5(13) . .
O22 Cl1 O21 107.9(14) . .
O23 Cl1 O20 134.5(14) . .
O22 Cl1 O20 86.7(8) . .
O21 Cl1 O20 102.9(10) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.975(11) .
Cu1 O1 1.975(11) 4
Cu1 O9 2.011(6) 4
Cu1 O9 2.011(6) .
Cu1 O17 2.074(14) .
Cu1 Cu2 2.580(2) .
Cu2 O2 1.914(6) 4
Cu2 O2 1.914(6) .
Cu2 O10 1.917(5) 4
Cu2 O10 1.917(5) .
Cu2 O19A 2.295(18) .
Cu3 O13 1.916(4) 4
Cu3 O13 1.916(4) .
Cu3 O6 1.933(5) 4
Cu3 O6 1.933(5) .
Cu3 O19B 2.38(2) .
Cu3 Cu4 2.5691(18) .
Cu4 O5 1.962(6) 4
Cu4 O5 1.962(6) .
Cu4 O14 1.980(5) 4
Cu4 O14 1.980(5) .
Cu4 O18 2.140(8) .
O1 C17 1.240(16) .
O2 C17 1.229(12) .
O3 C3 1.159(11) .
O4 C2 1.188(18) .
O5 C8 1.253(11) .
O6 C8 1.247(10) .
O7 C9 1.212(12) .
O8 C12 1.206(15) .
O9 C36 1.255(11) .
O10 C36 1.277(10) .
O11 C32 1.180(10) .
O12 C25 1.218(8) .
O13 C19 1.286(8) .
O14 C19 1.221(8) .
O15 C22 1.227(9) .
O16 C33 1.221(9) .
O17 H17 0.8400 .
O18 H18 0.8400 .
N1 C9 1.343(14) .
N1 C2 1.390(12) .
N1 C5 1.452(12) .
N2 C3 1.369(13) .
N2 C12 1.404(11) .
N2 C15 1.504(17) .
N3 C22 1.360(9) .
N3 C25 1.420(8) .
N3 C20 1.467(9) .
N4 C33 1.364(12) .
N4 C32 1.403(10) .
N4 C34 1.462(12) .
C1 C11 1.321(14) .
C1 C16 1.521(12) .
C1 H1 0.9500 .
C2 C10 1.56(2) .
C3 C13 1.533(12) .
C4 C10 1.505(17) .
C4 C16 1.51(2) .
C4 C9 1.539(12) .
C4 H4 1.0000 .
C5 C7 1.517(13) .
C5 C8 1.541(10) .
C5 H5 1.0000 .
C6 C10 1.487(13) .
C6 C13 1.492(17) .
C6 C11 1.575(10) .
C6 H6 1.0000 .
C7 H7A 0.9800 .
C7 H7B 0.9800 .
C7 H7C 0.9800 .
C10 H10 1.0000 .
C11 H11 0.9500 .
C12 C14 1.481(15) .
C13 C14 1.602(19) .
C13 H13 1.0000 .
C14 C16 1.508(12) .
C14 H14 1.0000 .
C15 C18 1.481(19) .
C15 C17 1.540(16) .
C15 H15 1.0000 .
C16 H16 1.0000 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C20 1.558(9) .
C20 C21 1.496(11) .
C20 H20 1.0000 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C21 H21C 0.9800 .
C22 C23 1.516(9) .
C23 C29 1.542(11) .
C23 C24 1.543(9) .
C23 H23 1.0000 .
C24 C25 1.488(9) .
C24 C26 1.562(10) .
C24 H24 1.0000 .
C26 C31 1.492(9) .
C26 C27 1.540(9) .
C26 H26 1.0000 .
C27 C32 1.543(11) .
C27 C28 1.547(9) .
C27 H27 1.0000 .
C28 C33 1.515(11) .
C28 C29 1.542(10) .
C28 H28 1.0000 .
C29 C30 1.526(10) .
C29 H29 1.0000 .
C30 C31 1.280(10) .
C30 H30 0.9500 .
C31 H31 0.9500 .
C34 C36 1.544(10) .
C34 C35 1.586(13) .
C34 H34 1.0000 .
C35 H35A 0.9800 .
C35 H35B 0.9800 .
C35 H35C 0.9800 .
Cl1 O23 1.253(11) .
Cl1 O22 1.352(11) .
Cl1 O21 1.426(16) .
Cl1 O20 1.620(10) .
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
O1 Cu1 Cu2 O2 -176.9(2) . 4
O1 Cu1 Cu2 O2 3.1(2) 4 4
O9 Cu1 Cu2 O2 -85.8(3) 4 4
O9 Cu1 Cu2 O2 94.2(3) . 4
O17 Cu1 Cu2 O2 93.83(15) . 4
O1 Cu1 Cu2 O2 3.1(2) . .
O1 Cu1 Cu2 O2 -176.9(2) 4 .
O9 Cu1 Cu2 O2 94.2(3) 4 .
O9 Cu1 Cu2 O2 -85.8(3) . .
O17 Cu1 Cu2 O2 -86.17(15) . .
O1 Cu1 Cu2 O10 -87.6(3) . 4
O1 Cu1 Cu2 O10 92.4(3) 4 4
O9 Cu1 Cu2 O10 3.4(3) 4 4
O9 Cu1 Cu2 O10 -176.6(3) . 4
O17 Cu1 Cu2 O10 -176.93(18) . 4
O1 Cu1 Cu2 O10 92.4(3) . .
O1 Cu1 Cu2 O10 -87.6(3) 4 .
O9 Cu1 Cu2 O10 -176.6(3) 4 .
O9 Cu1 Cu2 O10 3.4(3) . .
O17 Cu1 Cu2 O10 3.07(18) . .
O1 Cu1 Cu2 O19A -90.7(2) . .
O1 Cu1 Cu2 O19A 89.3(2) 4 .
O9 Cu1 Cu2 O19A 0.3(2) 4 .
O9 Cu1 Cu2 O19A -179.7(2) . .
O17 Cu1 Cu2 O19A 0(100) . .
O13 Cu3 Cu4 O5 -90.1(2) 4 4
O13 Cu3 Cu4 O5 89.9(2) . 4
O6 Cu3 Cu4 O5 0.9(2) 4 4
O6 Cu3 Cu4 O5 -179.1(2) . 4
O19B Cu3 Cu4 O5 -32.06(15) . 4
O13 Cu3 Cu4 O5 89.9(2) 4 .
O13 Cu3 Cu4 O5 -90.1(2) . .
O6 Cu3 Cu4 O5 -179.1(2) 4 .
O6 Cu3 Cu4 O5 0.9(2) . .
O19B Cu3 Cu4 O5 147.94(15) . .
O13 Cu3 Cu4 O14 1.2(2) 4 4
O13 Cu3 Cu4 O14 -178.8(2) . 4
O6 Cu3 Cu4 O14 92.2(2) 4 4
O6 Cu3 Cu4 O14 -87.8(2) . 4
O19B Cu3 Cu4 O14 59.28(15) . 4
O13 Cu3 Cu4 O14 -178.8(2) 4 .
O13 Cu3 Cu4 O14 1.2(2) . .
O6 Cu3 Cu4 O14 -87.8(2) 4 .
O6 Cu3 Cu4 O14 92.2(2) . .
O19B Cu3 Cu4 O14 -120.72(15) . .
O13 Cu3 Cu4 O18 121.93(13) 4 .
O13 Cu3 Cu4 O18 -58.07(13) . .
O6 Cu3 Cu4 O18 -147.07(14) 4 .
O6 Cu3 Cu4 O18 32.93(14) . .
O19B Cu3 Cu4 O18 0(100) . .
O1 Cu1 O1 C17 -5.0(6) 4 .
O9 Cu1 O1 C17 -85.8(7) 4 .
O9 Cu1 O1 C17 76.0(7) . .
O17 Cu1 O1 C17 175.0(6) . .
Cu2 Cu1 O1 C17 -5.0(6) . .
O2 Cu2 O2 C17 -2.1(6) 4 .
O10 Cu2 O2 C17 88.0(6) 4 .
O10 Cu2 O2 C17 -92.3(6) . .
O19A Cu2 O2 C17 177.9(6) . .
Cu1 Cu2 O2 C17 -2.1(6) . .
O5 Cu4 O5 C8 -3.2(5) 4 .
O14 Cu4 O5 C8 79.4(6) 4 .
O14 Cu4 O5 C8 -85.4(6) . .
O18 Cu4 O5 C8 176.8(5) . .
Cu3 Cu4 O5 C8 -3.2(5) . .
O13 Cu3 O6 C8 -86.7(5) 4 .
O13 Cu3 O6 C8 88.7(5) . .
O6 Cu3 O6 C8 1.0(5) 4 .
O19B Cu3 O6 C8 -179.0(5) . .
Cu4 Cu3 O6 C8 1.0(5) . .
O1 Cu1 O9 C36 -93.0(10) . .
O1 Cu1 O9 C36 78.6(10) 4 .
O9 Cu1 O9 C36 -7.0(9) 4 .
O17 Cu1 O9 C36 173.0(9) . .
Cu2 Cu1 O9 C36 -7.0(9) . .
O2 Cu2 O10 C36 -85.1(8) 4 .
O2 Cu2 O10 C36 83.0(8) . .
O10 Cu2 O10 C36 179(4) 4 .
O19A Cu2 O10 C36 178.9(8) . .
Cu1 Cu2 O10 C36 -1.1(8) . .
O13 Cu3 O13 C19 -1.3(4) 4 .
O6 Cu3 O13 C19 86.0(4) 4 .
O6 Cu3 O13 C19 -88.5(4) . .
O19B Cu3 O13 C19 178.7(4) . .
Cu4 Cu3 O13 C19 -1.3(4) . .
O5 Cu4 O14 C19 -84.6(5) 4 .
O5 Cu4 O14 C19 81.0(5) . .
O14 Cu4 O14 C19 -1.6(5) 4 .
O18 Cu4 O14 C19 178.4(5) . .
Cu3 Cu4 O14 C19 -1.6(5) . .
C9 N1 C2 O4 -167.8(10) . .
C5 N1 C2 O4 2.0(14) . .
C9 N1 C2 C10 4.2(9) . .
C5 N1 C2 C10 174.0(6) . .
C12 N2 C3 O3 173.8(10) . .
C15 N2 C3 O3 10.7(17) . .
C12 N2 C3 C13 -13.9(12) . .
C15 N2 C3 C13 -176.9(8) . .
C9 N1 C5 C7 -125.1(8) . .
C2 N1 C5 C7 65.5(9) . .
C9 N1 C5 C8 107.9(7) . .
C2 N1 C5 C8 -61.5(9) . .
Cu3 O6 C8 O5 -4.0(9) . .
Cu3 O6 C8 C5 -178.7(4) . .
Cu4 O5 C8 O6 5.3(10) . .
Cu4 O5 C8 C5 179.9(4) . .
N1 C5 C8 O6 -37.5(9) . .
C7 C5 C8 O6 -163.5(7) . .
N1 C5 C8 O5 147.3(7) . .
C7 C5 C8 O5 21.3(10) . .
C2 N1 C9 O7 171.9(8) . .
C5 N1 C9 O7 1.9(12) . .
C2 N1 C9 C4 -7.5(9) . .
C5 N1 C9 C4 -177.5(6) . .
C10 C4 C9 O7 -172.2(8) . .
C16 C4 C9 O7 -53.8(11) . .
C10 C4 C9 N1 7.3(9) . .
C16 C4 C9 N1 125.6(9) . .
C13 C6 C10 C4 63.9(10) . .
C11 C6 C10 C4 -50.8(12) . .
C13 C6 C10 C2 -176.8(9) . .
C11 C6 C10 C2 68.5(13) . .
C16 C4 C10 C6 -3.5(11) . .
C9 C4 C10 C6 116.0(9) . .
C16 C4 C10 C2 -124.3(8) . .
C9 C4 C10 C2 -4.8(9) . .
O4 C2 C10 C6 51.3(14) . .
N1 C2 C10 C6 -120.7(9) . .
O4 C2 C10 C4 173.0(9) . .
N1 C2 C10 C4 1.0(9) . .
C16 C1 C11 C6 -0.2(13) . .
C10 C6 C11 C1 55.3(14) . .
C13 C6 C11 C1 -61.1(10) . .
C3 N2 C12 O8 -166.6(13) . .
C15 N2 C12 O8 -2.7(18) . .
C3 N2 C12 C14 10.2(13) . .
C15 N2 C12 C14 174.1(8) . .
C10 C6 C13 C3 -170.2(9) . .
C11 C6 C13 C3 -53.7(10) . .
C10 C6 C13 C14 -58.2(10) . .
C11 C6 C13 C14 58.3(8) . .
O3 C3 C13 C6 -62.1(15) . .
N2 C3 C13 C6 126.7(11) . .
O3 C3 C13 C14 -177.4(12) . .
N2 C3 C13 C14 11.3(10) . .
O8 C12 C14 C16 54.4(18) . .
N2 C12 C14 C16 -122.1(10) . .
O8 C12 C14 C13 174.2(14) . .
N2 C12 C14 C13 -2.3(11) . .
C6 C13 C14 C12 -124.4(8) . .
C3 C13 C14 C12 -5.2(10) . .
C6 C13 C14 C16 -3.0(11) . .
C3 C13 C14 C16 116.2(10) . .
C3 N2 C15 C18 -123.4(15) . .
C12 N2 C15 C18 74.8(16) . .
C3 N2 C15 C17 98.7(13) . .
C12 N2 C15 C17 -63.1(13) . .
C12 C14 C16 C4 177.3(9) . .
C13 C14 C16 C4 60.7(9) . .
C12 C14 C16 C1 61.5(15) . .
C13 C14 C16 C1 -55.1(15) . .
C10 C4 C16 C14 -57.5(10) . .
C9 C4 C16 C14 -171.4(8) . .
C10 C4 C16 C1 57.5(10) . .
C9 C4 C16 C1 -56.4(11) . .
C11 C1 C16 C14 58.8(16) . .
C11 C1 C16 C4 -56.5(11) . .
Cu2 O2 C17 O1 -1.6(13) . .
Cu2 O2 C17 C15 179.0(6) . .
Cu1 O1 C17 O2 5.6(13) . .
Cu1 O1 C17 C15 -175.0(6) . .
C18 C15 C17 O2 -165.1(10) . .
N2 C15 C17 O2 -28.9(14) . .
C18 C15 C17 O1 15.5(14) . .
N2 C15 C17 O1 151.7(10) . .
Cu4 O14 C19 O13 1.2(9) . .
Cu4 O14 C19 C20 176.2(4) . .
Cu3 O13 C19 O14 0.5(8) . .
Cu3 O13 C19 C20 -174.7(4) . .
C22 N3 C20 C21 -118.4(8) . .
C25 N3 C20 C21 69.4(8) . .
C22 N3 C20 C19 116.8(7) . .
C25 N3 C20 C19 -55.4(8) . .
O14 C19 C20 N3 144.3(6) . .
O13 C19 C20 N3 -40.2(8) . .
O14 C19 C20 C21 20.3(9) . .
O13 C19 C20 C21 -164.2(6) . .
C25 N3 C22 O15 176.6(8) . .
C20 N3 C22 O15 3.7(12) . .
C25 N3 C22 C23 -3.1(8) . .
C20 N3 C22 C23 -176.0(6) . .
O15 C22 C23 C29 -59.1(10) . .
N3 C22 C23 C29 120.6(6) . .
O15 C22 C23 C24 -177.9(8) . .
N3 C22 C23 C24 1.9(8) . .
C22 C23 C24 C25 -0.1(7) . .
C29 C23 C24 C25 -119.1(6) . .
C22 C23 C24 C26 117.3(6) . .
C29 C23 C24 C26 -1.8(7) . .
C22 N3 C25 O12 -178.2(6) . .
C20 N3 C25 O12 -5.2(9) . .
C22 N3 C25 C24 3.0(7) . .
C20 N3 C25 C24 176.0(5) . .
C23 C24 C25 O12 179.7(7) . .
C26 C24 C25 O12 61.8(9) . .
C23 C24 C25 N3 -1.6(7) . .
C26 C24 C25 N3 -119.5(5) . .
C25 C24 C26 C31 62.6(6) . .
C23 C24 C26 C31 -52.6(7) . .
C25 C24 C26 C27 178.1(5) . .
C23 C24 C26 C27 62.8(6) . .
C31 C26 C27 C32 -64.4(7) . .
C24 C26 C27 C32 -177.2(5) . .
C31 C26 C27 C28 50.4(8) . .
C24 C26 C27 C28 -62.4(7) . .
C26 C27 C28 C33 -116.2(7) . .
C32 C27 C28 C33 1.6(7) . .
C26 C27 C28 C29 1.8(8) . .
C32 C27 C28 C29 119.6(6) . .
C22 C23 C29 C30 -60.7(7) . .
C24 C23 C29 C30 54.1(7) . .
C22 C23 C29 C28 -173.9(5) . .
C24 C23 C29 C28 -59.0(7) . .
C33 C28 C29 C30 60.2(7) . .
C27 C28 C29 C30 -54.3(8) . .
C33 C28 C29 C23 174.0(6) . .
C27 C28 C29 C23 59.5(8) . .
C23 C29 C30 C31 -53.9(8) . .
C28 C29 C30 C31 59.6(8) . .
C29 C30 C31 C26 -5.3(10) . .
C27 C26 C31 C30 -52.1(9) . .
C24 C26 C31 C30 60.5(8) . .
C33 N4 C32 O11 177.6(7) . .
C34 N4 C32 O11 3.6(11) . .
C33 N4 C32 C27 -0.7(8) . .
C34 N4 C32 C27 -174.7(6) . .
C26 C27 C32 O11 -61.4(9) . .
C28 C27 C32 O11 -179.0(7) . .
C26 C27 C32 N4 116.9(6) . .
C28 C27 C32 N4 -0.7(7) . .
C32 N4 C33 O16 -175.9(8) . .
C34 N4 C33 O16 -2.2(13) . .
C32 N4 C33 C28 1.8(9) . .
C34 N4 C33 C28 175.5(6) . .
C29 C28 C33 O16 56.8(11) . .
C27 C28 C33 O16 175.6(8) . .
C29 C28 C33 N4 -120.9(7) . .
C27 C28 C33 N4 -2.1(8) . .
C33 N4 C34 C36 -53.2(11) . .
C32 N4 C34 C36 120.2(8) . .
C33 N4 C34 C35 66.3(9) . .
C32 N4 C34 C35 -120.4(8) . .
Cu1 O9 C36 O10 9.2(18) . .
Cu1 O9 C36 C34 -179.9(8) . .
Cu2 O10 C36 O9 -4.4(16) . .
Cu2 O10 C36 C34 -175.7(7) . .
N4 C34 C36 O9 145.0(10) . .
C35 C34 C36 O9 27.9(15) . .
N4 C34 C36 O10 -42.8(13) . .
C35 C34 C36 O10 -160.0(9) . .
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 0.000 -0.004 2543 427 ' '
2 0.333 0.667 0.274 84 49 ' '
3 0.667 0.333 0.726 84 49 ' '
