#------------------------------------------------------------------------------
#$Date: 2021-05-28 12:46:58 +0300 (Fri, 28 May 2021) $
#$Revision: 265583 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/29/1562957.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_1562957
loop_
_publ_author_name
'Xiong, Kecai'
'Jiang, Feilong'
'Wu, Mingyan'
'Gai, Yanli'
'Chen, Qihui'
'Zhang, Shuquan'
'Ma, Jie'
'Han, Dong'
'Hong, Maochun'
_publ_section_title
;
 Two novel chains based on capsules supported by water-soluble calixarenes
 and metal complexes
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              215
_journal_page_last               220
_journal_paper_doi               10.1016/j.jssc.2012.04.021
_journal_volume                  192
_journal_year                    2012
_chemical_formula_sum            'C34 H56 Cu3 N2 O37 S8'
_chemical_formula_weight         1531.91
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                104.088(2)
_cell_angle_beta                 98.284(3)
_cell_angle_gamma                94.186(4)
_cell_formula_units_Z            2
_cell_length_a                   14.1785(10)
_cell_length_b                   14.3084(12)
_cell_length_c                   14.7510(12)
_cell_measurement_reflns_used    6426
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.4680
_cell_measurement_theta_min      3.0106
_cell_volume                     2854.0(4)
_computing_cell_refinement       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_collection       'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_data_reduction        'CrystalClear (Rigaku/MSC Inc., 2005)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_detector_area_resol_mean 14.6306
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_diffrn_measurement_device_type  Mercury70
_diffrn_measurement_method       CCD_Profile_fitting
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0284
_diffrn_reflns_av_sigmaI/netI    0.0570
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            22295
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.22
_exptl_absorpt_coefficient_mu    1.504
_exptl_absorpt_correction_T_max  0.8641
_exptl_absorpt_correction_T_min  0.7049
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            brown
_exptl_crystal_density_diffrn    1.783
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1570
_exptl_crystal_size_max          0.25
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.066
_refine_diff_density_min         -1.579
_refine_diff_density_rms         0.119
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     764
_refine_ls_number_reflns         12901
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0900
_refine_ls_R_factor_gt           0.0704
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1071P)²+4.8678P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1898
_refine_ls_wR_factor_ref         0.2096
_reflns_number_gt                9887
_reflns_number_total             12901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2012-192-215.cif
_cod_data_source_block           complex_2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'Multi-scan' was
changed to 'multi-scan' in accordance with the built-in table derived
from the CIF Core dictionary named 'cif_core.dic' version 2.4.5 last
updated on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1562957
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -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 0.93923(10) 0.65022(9) 0.36857(9) 0.0443(3) Uani 0.50 1 d P . .
Cu2 Cu 0.70795(5) 0.68219(4) 0.19663(4) 0.03847(17) Uani 1 1 d U . .
Cu3 Cu 0.5000 0.0000 0.0000 0.03060(19) Uani 1 2 d S . .
Cu4 Cu 0.17521(7) 0.17676(6) 0.15700(6) 0.0636(2) Uani 1 1 d . . .
S1 S 1.01465(9) 0.51760(10) 0.29887(9) 0.0409(3) Uani 1 1 d . . .
S2 S 0.77307(10) 0.46792(11) 0.55004(8) 0.0439(3) Uani 1 1 d . . .
S3 S 0.45724(9) 0.50226(8) 0.29782(8) 0.0323(2) Uani 1 1 d . . .
S4 S 0.69804(8) 0.55674(8) 0.05051(8) 0.0302(2) Uani 1 1 d . . .
S5 S 0.91870(12) 0.15642(12) 0.34226(14) 0.0596(4) Uani 1 1 d . . .
S6 S 0.44808(11) 0.21432(9) 0.48119(9) 0.0434(3) Uani 1 1 d . . .
S7 S 0.44441(8) 0.22489(7) -0.03413(7) 0.0284(2) Uani 1 1 d . . .
S8 S 0.95405(10) 0.30544(10) -0.06854(10) 0.0445(3) Uani 1 1 d . . .
O1 O 0.8886(3) 0.5774(3) 0.4400(3) 0.0462(9) Uani 1 1 d . . .
O2 O 0.6673(3) 0.5409(3) 0.3970(3) 0.0434(8) Uani 1 1 d . . .
O3 O 0.6158(3) 0.5986(2) 0.2305(2) 0.0349(7) Uani 1 1 d . . .
O4 O 0.8291(3) 0.5906(3) 0.2384(2) 0.0443(8) Uani 1 1 d U . .
O5 O 1.0192(4) 0.1447(4) 0.3641(5) 0.098(2) Uani 1 1 d . . .
O6 O 0.8613(5) 0.1148(4) 0.3989(6) 0.108(2) Uani 1 1 d . . .
O7 O 0.8824(6) 0.1252(4) 0.2425(5) 0.106(2) Uani 1 1 d . . .
O8 O 0.5172(4) 0.1633(4) 0.5239(4) 0.0766(15) Uani 1 1 d . . .
O9 O 0.3772(5) 0.2518(4) 0.5367(4) 0.0839(17) Uani 1 1 d . . .
O10 O 0.4011(4) 0.1561(3) 0.3877(3) 0.0738(14) Uani 1 1 d . . .
O11 O 0.5154(3) 0.1564(2) -0.0331(2) 0.0365(7) Uani 1 1 d . . .
O12 O 0.3594(2) 0.1968(2) 0.0020(2) 0.0388(7) Uani 1 1 d . . .
O13 O 0.4217(3) 0.2445(2) -0.1268(2) 0.0380(7) Uani 1 1 d . . .
O14 O 0.9156(3) 0.3217(3) -0.1589(3) 0.0599(11) Uani 1 1 d . . .
O15 O 0.9114(4) 0.2163(3) -0.0549(4) 0.0749(14) Uani 1 1 d . . .
O16 O 1.0578(3) 0.3118(3) -0.0522(3) 0.0592(11) Uani 1 1 d . . .
O17 O 0.8065(3) 0.7677(3) 0.1667(3) 0.0465(9) Uani 1 1 d . . .
O18 O 0.7113(3) 0.7780(3) 0.3198(3) 0.0532(10) Uani 1 1 d . . .
O19 O 0.9027(8) 0.7671(6) 0.4515(6) 0.066(2) Uani 0.50 1 d P . .
O20 O 1.0096(11) 0.7420(7) 0.3135(9) 0.117(6) Uani 0.50 1 d P . .
O21 O 0.4574(2) 0.0577(2) 0.1192(2) 0.0351(7) Uani 1 1 d . . .
O22 O 0.6350(3) 0.0289(2) 0.0675(2) 0.0364(7) Uani 1 1 d . . .
O23 O 0.1751(7) 0.0548(5) 0.0556(5) 0.126(3) Uani 1 1 d . . .
O24 O 0.1433(4) 0.0977(4) 0.2407(4) 0.0796(15) Uani 1 1 d . . .
O25 O 0.2010(3) 0.2561(4) 0.0680(3) 0.0627(12) Uani 1 1 d . . .
O26 O 0.1716(4) 0.2977(4) 0.2562(3) 0.0721(13) Uani 1 1 d . . .
O27 O 0.0048(7) 0.1695(7) 0.1123(6) 0.139(3) Uani 1 1 d . . .
O28 O 0.3340(4) 0.1808(4) 0.2046(3) 0.0663(12) Uani 1 1 d . . .
O29 O 0.7417(8) 0.3154(12) -0.2710(8) 0.213(6) Uani 1 1 d . . .
O31 O 0.7136(9) 0.1415(8) 0.5684(8) 0.169(4) Uani 1 1 d . . .
O32 O 0.2220(9) -0.0834(8) 0.1698(16) 0.298(11) Uani 1 1 d . . .
O33 O 0.2543(10) 0.0123(9) 0.3593(16) 0.285(10) Uani 1 1 d . . .
O34 O 0.2206(4) 0.4623(5) 0.2026(4) 0.0918(18) Uani 1 1 d . . .
O36 O 0.8389(10) 0.9275(7) 0.4212(9) 0.202(6) Uani 1 1 d . . .
O38 O 1.0460(17) 0.9219(12) 0.3967(17) 0.331(11) Uani 1 1 d . . .
N1 N 0.6583(3) 0.1222(3) 0.1177(3) 0.0319(8) Uani 1 1 d . . .
N2 N 0.5006(3) 0.0318(3) 0.1960(3) 0.0348(8) Uani 1 1 d . . .
C1 C 0.8937(4) 0.4823(4) 0.4208(3) 0.0399(11) Uani 1 1 d . . .
C2 C 0.9519(4) 0.4404(4) 0.3541(3) 0.0380(10) Uani 1 1 d . . .
C3 C 0.9596(4) 0.3428(4) 0.3322(4) 0.0437(12) Uani 1 1 d . . .
H3 H 0.9980 0.3168 0.2884 0.052 Uiso 1 1 calc R . .
C4 C 0.9103(4) 0.2824(4) 0.3751(4) 0.0457(12) Uani 1 1 d . . .
C5 C 0.8550(4) 0.3223(4) 0.4426(4) 0.0459(12) Uani 1 1 d . . .
H5 H 0.8243 0.2824 0.4732 0.055 Uiso 1 1 calc R . .
C6 C 0.8452(4) 0.4206(4) 0.4648(3) 0.0410(11) Uani 1 1 d . . .
C7 C 0.6558(4) 0.4255(4) 0.4858(3) 0.0365(10) Uani 1 1 d . . .
C8 C 0.6049(4) 0.3485(4) 0.5051(3) 0.0364(10) Uani 1 1 d . . .
H8 H 0.6337 0.3182 0.5492 0.044 Uiso 1 1 calc R . .
C9 C 0.5113(4) 0.3156(3) 0.4595(3) 0.0354(10) Uani 1 1 d . . .
C10 C 0.4673(4) 0.3631(3) 0.3964(3) 0.0345(10) Uani 1 1 d . . .
H10 H 0.4038 0.3433 0.3679 0.041 Uiso 1 1 calc R . .
C11 C 0.5170(3) 0.4396(3) 0.3754(3) 0.0305(9) Uani 1 1 d . . .
C12 C 0.6129(3) 0.4701(3) 0.4182(3) 0.0316(9) Uani 1 1 d . . .
C13 C 0.5044(3) 0.4577(3) 0.1919(3) 0.0279(8) Uani 1 1 d . . .
C14 C 0.4655(3) 0.3693(3) 0.1308(3) 0.0305(9) Uani 1 1 d . . .
H14 H 0.4180 0.3315 0.1474 0.037 Uiso 1 1 calc R . .
C15 C 0.4973(3) 0.3364(3) 0.0439(3) 0.0278(8) Uani 1 1 d . . .
C16 C 0.5686(3) 0.3931(3) 0.0198(3) 0.0299(9) Uani 1 1 d . . .
H16 H 0.5891 0.3721 -0.0382 0.036 Uiso 1 1 calc R . .
C17 C 0.6095(3) 0.4813(3) 0.0818(3) 0.0267(8) Uani 1 1 d . . .
C18 C 0.5785(3) 0.5161(3) 0.1704(3) 0.0290(9) Uani 1 1 d . . .
C19 C 0.8053(3) 0.5038(3) 0.0760(3) 0.0295(9) Uani 1 1 d . . .
C20 C 0.8364(4) 0.4396(3) 0.0019(3) 0.0344(10) Uani 1 1 d . . .
H20 H 0.8009 0.4242 -0.0590 0.041 Uiso 1 1 calc R . .
C21 C 0.9218(4) 0.3984(3) 0.0199(3) 0.0362(10) Uani 1 1 d . . .
C22 C 0.9755(4) 0.4221(4) 0.1104(3) 0.0372(10) Uani 1 1 d . . .
H22 H 1.0319 0.3944 0.1218 0.045 Uiso 1 1 calc R . .
C23 C 0.9450(3) 0.4871(3) 0.1839(3) 0.0332(9) Uani 1 1 d . . .
C24 C 0.8590(3) 0.5293(3) 0.1684(3) 0.0313(9) Uani 1 1 d . . .
C25 C 0.7092(4) 0.1821(4) 0.0804(4) 0.0419(11) Uani 1 1 d . . .
H25 H 0.7252 0.1596 0.0205 0.050 Uiso 1 1 calc R . .
C26 C 0.7376(4) 0.2768(4) 0.1310(4) 0.0469(12) Uani 1 1 d . . .
H26 H 0.7739 0.3179 0.1059 0.056 Uiso 1 1 calc R . .
C27 C 0.7124(4) 0.3104(4) 0.2183(4) 0.0483(13) Uani 1 1 d . . .
H27 H 0.7303 0.3745 0.2524 0.058 Uiso 1 1 calc R . .
C28 C 0.6594(4) 0.2470(4) 0.2556(4) 0.0446(12) Uani 1 1 d . . .
H28 H 0.6412 0.2688 0.3146 0.053 Uiso 1 1 calc R . .
C29 C 0.6340(4) 0.1515(3) 0.2042(3) 0.0349(10) Uani 1 1 d . . .
C30 C 0.5856(4) 0.0786(4) 0.2427(3) 0.0385(11) Uani 1 1 d . . .
C31 C 0.6262(5) 0.0582(5) 0.3257(4) 0.0536(14) Uani 1 1 d . . .
H31 H 0.6846 0.0910 0.3595 0.064 Uiso 1 1 calc R . .
C32 C 0.5778(6) -0.0128(5) 0.3582(5) 0.0640(18) Uani 1 1 d . . .
H32 H 0.6042 -0.0276 0.4138 0.077 Uiso 1 1 calc R . .
C33 C 0.4931(6) -0.0594(4) 0.3092(4) 0.0587(17) Uani 1 1 d . . .
H33 H 0.4616 -0.1066 0.3311 0.070 Uiso 1 1 calc R . .
C34 C 0.4518(2) -0.03794(19) 0.22527(19) 0.0505(14) Uani 1 1 d . . .
H34 H 0.3933 -0.0701 0.1910 0.061 Uiso 1 1 calc R . .
O37 O 0.7965(2) 0.70813(19) 0.56064(19) 0.0710(13) Uani 1 1 d R . .
O30 O 0.5663(2) 0.29474(19) -0.22797(19) 0.0796(15) Uani 1 1 d R . .
O35 O 0.7949(2) 0.94444(19) 0.12844(19) 0.101(2) Uani 1 1 d R . .
H2 H 0.6374 0.5647 0.3502 0.058(19) Uiso 1 1 d R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
S S 0.1246 0.1234 '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'
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 O19 89.2(3) . .
O1 Cu1 O20 169.4(5) . .
O19 Cu1 O20 85.4(4) . .
O1 Cu1 O4 95.72(17) . .
O19 Cu1 O4 111.9(3) . .
O20 Cu1 O4 94.8(5) . .
O1 Cu1 S1 89.13(13) . .
O19 Cu1 S1 166.2(3) . .
O20 Cu1 S1 94.0(3) . .
O4 Cu1 S1 81.90(10) . .
O3 Cu2 O17 177.51(16) . .
O3 Cu2 O18 89.38(15) . .
O17 Cu2 O18 89.41(16) . .
O3 Cu2 O4 90.16(15) . .
O17 Cu2 O4 87.92(16) . .
O18 Cu2 O4 100.45(16) . .
O3 Cu2 O13 88.95(14) . 2_665
O17 Cu2 O13 93.22(15) . 2_665
O18 Cu2 O13 89.66(16) . 2_665
O4 Cu2 O13 169.84(11) . 2_665
O3 Cu2 S4 86.69(10) . .
O17 Cu2 S4 94.48(11) . .
O18 Cu2 S4 175.95(12) . .
O4 Cu2 S4 78.60(9) . .
O13 Cu2 S4 91.25(8) 2_665 .
O21 Cu3 O21 180.00(19) . 2_655
O21 Cu3 O22 89.07(14) . .
O21 Cu3 O22 90.93(14) 2_655 .
O21 Cu3 O22 90.93(14) . 2_655
O21 Cu3 O22 89.07(14) 2_655 2_655
O22 Cu3 O22 180.0(2) . 2_655
O21 Cu3 O11 89.83(12) . 2_655
O21 Cu3 O11 90.17(12) 2_655 2_655
O22 Cu3 O11 91.78(12) . 2_655
O22 Cu3 O11 88.22(12) 2_655 2_655
O21 Cu3 O11 90.17(12) . .
O21 Cu3 O11 89.83(12) 2_655 .
O22 Cu3 O11 88.22(12) . .
O22 Cu3 O11 91.78(12) 2_655 .
O11 Cu3 O11 180.00(14) 2_655 .
O24 Cu4 O26 91.3(2) . .
O24 Cu4 O25 177.1(2) . .
O26 Cu4 O25 89.3(2) . .
O24 Cu4 O23 88.8(3) . .
O26 Cu4 O23 178.4(3) . .
O25 Cu4 O23 90.5(3) . .
O24 Cu4 O28 92.7(2) . .
O26 Cu4 O28 90.7(2) . .
O25 Cu4 O28 90.08(19) . .
O23 Cu4 O28 90.8(3) . .
O24 Cu4 O27 84.7(3) . .
O26 Cu4 O27 88.8(3) . .
O25 Cu4 O27 92.5(2) . .
O23 Cu4 O27 89.7(4) . .
O28 Cu4 O27 177.4(2) . .
C23 S1 C2 100.9(2) . .
C23 S1 Cu1 98.84(16) . .
C2 S1 Cu1 91.54(17) . .
C6 S2 C7 101.7(2) . .
C11 S3 C13 101.8(2) . .
C17 S4 C19 103.07(19) . .
C17 S4 Cu2 92.63(14) . .
C19 S4 Cu2 100.32(15) . .
O7 S5 O6 113.6(5) . .
O7 S5 O5 112.4(5) . .
O6 S5 O5 112.3(4) . .
O7 S5 C4 105.6(3) . .
O6 S5 C4 105.8(3) . .
O5 S5 C4 106.4(3) . .
O8 S6 O9 116.4(3) . .
O8 S6 O10 111.1(3) . .
O9 S6 O10 110.0(4) . .
O8 S6 C9 107.4(3) . .
O9 S6 C9 106.3(3) . .
O10 S6 C9 105.0(2) . .
O12 S7 O11 112.6(2) . .
O12 S7 O13 112.8(2) . .
O11 S7 O13 111.9(2) . .
O12 S7 C15 106.3(2) . .
O11 S7 C15 107.1(2) . .
O13 S7 C15 105.6(2) . .
O15 S8 O14 112.6(3) . .
O15 S8 O16 111.5(3) . .
O14 S8 O16 112.7(3) . .
O15 S8 C21 105.4(3) . .
O14 S8 C21 107.1(2) . .
O16 S8 C21 107.0(2) . .
C1 O1 Cu1 120.5(3) . .
C12 O2 H2 114.0 . .
C18 O3 Cu2 120.2(3) . .
C24 O4 Cu1 115.1(3) . .
C24 O4 Cu2 117.1(3) . .
Cu1 O4 Cu2 120.63(15) . .
S7 O11 Cu3 128.5(2) . .
S7 O13 Cu2 132.3(2) . 2_665
N2 O21 Cu3 115.5(3) . .
N1 O22 Cu3 113.6(3) . .
C29 N1 C25 122.1(4) . .
C29 N1 O22 119.7(4) . .
C25 N1 O22 118.2(4) . .
C30 N2 O21 119.5(4) . .
C30 N2 C34 123.0(4) . .
O21 N2 C34 117.4(4) . .
O1 C1 C6 123.0(5) . .
O1 C1 C2 118.9(5) . .
C6 C1 C2 118.0(5) . .
C3 C2 C1 121.1(5) . .
C3 C2 S1 120.3(4) . .
C1 C2 S1 118.6(4) . .
C2 C3 C4 120.3(5) . .
C2 C3 H3 119.8 . .
C4 C3 H3 119.8 . .
C3 C4 C5 119.6(5) . .
C3 C4 S5 119.1(4) . .
C5 C4 S5 121.3(5) . .
C6 C5 C4 120.9(5) . .
C6 C5 H5 119.5 . .
C4 C5 H5 119.5 . .
C5 C6 C1 120.1(5) . .
C5 C6 S2 119.4(4) . .
C1 C6 S2 120.6(4) . .
C8 C7 C12 119.5(5) . .
C8 C7 S2 119.1(4) . .
C12 C7 S2 121.4(4) . .
C7 C8 C9 121.1(4) . .
C7 C8 H8 119.5 . .
C9 C8 H8 119.5 . .
C10 C9 C8 119.3(4) . .
C10 C9 S6 119.9(4) . .
C8 C9 S6 120.8(4) . .
C11 C10 C9 120.7(5) . .
C11 C10 H10 119.7 . .
C9 C10 H10 119.7 . .
C10 C11 C12 120.1(4) . .
C10 C11 S3 119.6(4) . .
C12 C11 S3 120.3(3) . .
O2 C12 C7 117.5(4) . .
O2 C12 C11 123.2(4) . .
C7 C12 C11 119.3(4) . .
C14 C13 C18 121.5(4) . .
C14 C13 S3 119.7(3) . .
C18 C13 S3 118.7(3) . .
C13 C14 C15 120.4(4) . .
C13 C14 H14 119.8 . .
C15 C14 H14 119.8 . .
C16 C15 C14 119.5(4) . .
C16 C15 S7 121.0(3) . .
C14 C15 S7 119.5(3) . .
C15 C16 C17 120.4(4) . .
C15 C16 H16 119.8 . .
C17 C16 H16 119.8 . .
C16 C17 C18 121.0(4) . .
C16 C17 S4 121.1(3) . .
C18 C17 S4 117.8(3) . .
O3 C18 C13 120.4(4) . .
O3 C18 C17 122.5(4) . .
C13 C18 C17 117.1(4) . .
C20 C19 C24 121.1(4) . .
C20 C19 S4 118.4(3) . .
C24 C19 S4 120.5(3) . .
C19 C20 C21 119.4(4) . .
C19 C20 H20 120.3 . .
C21 C20 H20 120.3 . .
C22 C21 C20 120.5(4) . .
C22 C21 S8 119.1(4) . .
C20 C21 S8 120.0(4) . .
C21 C22 C23 120.0(4) . .
C21 C22 H22 120.0 . .
C23 C22 H22 120.0 . .
C22 C23 C24 121.0(4) . .
C22 C23 S1 119.7(4) . .
C24 C23 S1 119.3(3) . .
O4 C24 C19 120.7(4) . .
O4 C24 C23 121.3(4) . .
C19 C24 C23 118.0(4) . .
N1 C25 C26 119.9(5) . .
N1 C25 H25 120.0 . .
C26 C25 H25 120.0 . .
C27 C26 C25 119.9(5) . .
C27 C26 H26 120.0 . .
C25 C26 H26 120.0 . .
C26 C27 C28 119.2(5) . .
C26 C27 H27 120.4 . .
C28 C27 H27 120.4 . .
C29 C28 C27 119.6(5) . .
C29 C28 H28 120.2 . .
C27 C28 H28 120.2 . .
N1 C29 C28 119.2(5) . .
N1 C29 C30 118.2(4) . .
C28 C29 C30 122.5(5) . .
N2 C30 C31 119.7(5) . .
N2 C30 C29 118.9(4) . .
C31 C30 C29 121.3(5) . .
C30 C31 C32 118.9(6) . .
C30 C31 H31 120.6 . .
C32 C31 H31 120.6 . .
C33 C32 C31 120.0(6) . .
C33 C32 H32 120.0 . .
C31 C32 H32 120.0 . .
C32 C33 C34 120.9(5) . .
C32 C33 H33 119.5 . .
C34 C33 H33 119.5 . .
N2 C34 C33 117.4(4) . .
N2 C34 H34 121.3 . .
C33 C34 H34 121.3 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 O1 1.832(4) .
Cu1 O19 1.968(8) .
Cu1 O20 1.986(9) .
Cu1 O4 2.235(4) .
Cu1 S1 2.3376(19) .
Cu2 O3 1.907(3) .
Cu2 O17 1.959(4) .
Cu2 O18 1.984(4) .
Cu2 O4 2.338(4) .
Cu2 O13 2.409(3) 2_665
Cu2 S4 2.4249(12) .
Cu3 O21 1.953(3) .
Cu3 O21 1.953(3) 2_655
Cu3 O22 1.990(3) .
Cu3 O22 1.990(3) 2_655
Cu3 O11 2.405(3) 2_655
Cu3 O11 2.405(3) .
Cu4 O24 1.943(5) .
Cu4 O26 1.985(5) .
Cu4 O25 1.988(5) .
Cu4 O23 2.003(7) .
Cu4 O28 2.252(5) .
Cu4 O27 2.398(9) .
S1 C23 1.771(5) .
S1 C2 1.783(5) .
S2 C6 1.773(5) .
S2 C7 1.774(5) .
S3 C11 1.778(4) .
S3 C13 1.781(4) .
S4 C17 1.779(4) .
S4 C19 1.780(5) .
S5 O7 1.434(6) .
S5 O6 1.443(6) .
S5 O5 1.447(6) .
S5 C4 1.767(6) .
S6 O8 1.429(5) .
S6 O9 1.439(5) .
S6 O10 1.461(5) .
S6 C9 1.767(5) .
S7 O12 1.454(4) .
S7 O11 1.457(3) .
S7 O13 1.458(3) .
S7 C15 1.765(4) .
S8 O15 1.443(5) .
S8 O14 1.445(4) .
S8 O16 1.448(4) .
S8 C21 1.760(5) .
O1 C1 1.330(6) .
O2 C12 1.352(5) .
O2 H2 0.9072 .
O3 C18 1.313(5) .
O4 C24 1.325(5) .
O13 Cu2 2.409(3) 2_665
O21 N2 1.355(5) .
O22 N1 1.351(5) .
N1 C29 1.346(6) .
N1 C25 1.346(6) .
N2 C30 1.340(7) .
N2 C34 1.362(5) .
C1 C6 1.411(7) .
C1 C2 1.424(7) .
C2 C3 1.371(8) .
C3 C4 1.394(8) .
C3 H3 0.9300 .
C4 C5 1.395(8) .
C5 C6 1.386(8) .
C5 H5 0.9300 .
C7 C8 1.382(7) .
C7 C12 1.403(6) .
C8 C9 1.391(7) .
C8 H8 0.9300 .
C9 C10 1.386(7) .
C10 C11 1.380(6) .
C10 H10 0.9300 .
C11 C12 1.403(7) .
C13 C14 1.385(6) .
C13 C18 1.413(6) .
C14 C15 1.404(6) .
C14 H14 0.9300 .
C15 C16 1.390(6) .
C16 C17 1.395(6) .
C16 H16 0.9300 .
C17 C18 1.424(6) .
C19 C20 1.394(6) .
C19 C24 1.411(6) .
C20 C21 1.404(7) .
C20 H20 0.9300 .
C21 C22 1.387(7) .
C22 C23 1.390(7) .
C22 H22 0.9300 .
C23 C24 1.414(6) .
C25 C26 1.378(8) .
C25 H25 0.9300 .
C26 C27 1.368(8) .
C26 H26 0.9300 .
C27 C28 1.398(8) .
C27 H27 0.9300 .
C28 C29 1.384(7) .
C28 H28 0.9300 .
C29 C30 1.476(7) .
C30 C31 1.382(7) .
C31 C32 1.400(9) .
C31 H31 0.9300 .
C32 C33 1.344(10) .
C32 H32 0.9300 .
C33 C34 1.405(7) .
C33 H33 0.9300 .
C34 H34 0.9300 .
