#------------------------------------------------------------------------------
#$Date: 2016-03-26 17:30:31 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180397 $
#$URL: svn://www.crystallography.net/cod/cif/7/20/66/7206661.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_7206661
loop_
_publ_author_name
'Park, In-Hyeok'
'Lee, Shim Sung'
_publ_section_title
;
 Networking of macrocycles: 1D and 2D coordination polymers of
 dithia-18-crown-6 with copper(ii) and copper(i)
;
_journal_issue                   21
_journal_name_full               CrystEngComm
_journal_page_first              6520
_journal_paper_doi               10.1039/c1ce05587a
_journal_volume                  13
_journal_year                    2011
_chemical_formula_moiety         'C24 H48 Cu4 I4 O8 S4'
_chemical_formula_sum            'C24 H48 Cu4 I4 O8 S4'
_chemical_formula_weight         1354.62
_chemical_name_systematic
;
?
;
_space_group_IT_number           1
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  'P 1'
_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                104.841(5)
_cell_angle_beta                 104.913(6)
_cell_angle_gamma                105.793(4)
_cell_formula_units_Z            1
_cell_length_a                   8.3361(7)
_cell_length_b                   10.7845(9)
_cell_length_c                   12.6902(16)
_cell_measurement_reflns_used    6960
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      28.24
_cell_measurement_theta_min      2.67
_cell_volume                     993.40(18)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0654
_diffrn_reflns_av_sigmaI/netI    0.0821
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            14902
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    5.469
_exptl_absorpt_correction_T_max  0.6108
_exptl_absorpt_correction_T_min  0.3305
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.264
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             648
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.304
_refine_diff_density_min         -1.134
_refine_diff_density_rms         0.183
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.07(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     422
_refine_ls_number_reflns         6856
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.0533
_refine_ls_R_factor_gt           0.0402
_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)+(0.0416P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0906
_refine_ls_wR_factor_ref         0.1051
_reflns_number_gt                5923
_reflns_number_total             6856
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1ce05587a.txt
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_cell_volume        993.40(17)
_cod_original_sg_symbol_H-M      P1
_cod_database_code               7206661
loop_
_symmetry_equiv_pos_as_xyz
'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 0.36247(18) 0.24658(13) 0.32154(13) 0.0360(3) Uani 1 1 d . . .
Cu2 Cu 0.55898(18) 0.43463(13) 0.26204(13) 0.0336(3) Uani 1 1 d . . .
Cu3 Cu 0.36822(18) 0.18575(13) 0.10064(12) 0.0336(3) Uani 1 1 d . . .
Cu4 Cu 0.18070(18) 0.33695(13) 0.16100(13) 0.0369(3) Uani 1 1 d . . .
I1 I 0.34927(8) 0.49734(6) 0.38379(6) 0.03311(18) Uani 1 1 d . . .
I2 I 0.65903(8) 0.22635(6) 0.27661(6) 0.03000(17) Uani 1 1 d . . .
I3 I 0.39999(8) 0.40850(6) 0.04166(6) 0.02922(16) Uani 1 1 d . . .
I4 I 0.06924(8) 0.07310(6) 0.14009(6) 0.03242(17) Uani 1 1 d . . .
S1 S 0.3622(4) 0.1632(3) 0.4712(3) 0.0320(6) Uani 1 1 d . A .
S2 S 0.9437(4) 0.4007(3) 1.0922(3) 0.0343(6) Uani 1 1 d . . .
S3 S 0.7986(4) 0.6388(3) 0.3332(2) 0.0294(6) Uani 1 1 d . . .
S4 S 1.3826(4) 1.0130(3) 0.9587(3) 0.0305(6) Uani 1 1 d . . .
O1 O 0.4953(10) -0.0609(8) 0.5624(7) 0.0340(18) Uani 1 1 d . . .
O2 O 0.6830(12) 0.0995(9) 0.7910(8) 0.049(2) Uani 1 1 d . . .
O3 O 0.8964(12) 0.6114(8) 0.9426(8) 0.043(2) Uani 1 1 d . A .
O4 O 0.747(3) 0.477(2) 0.708(2) 0.050(9) Uani 0.44(3) 1 d P A 1
O4' O 0.623(3) 0.4434(19) 0.7108(19) 0.051(6) Uani 0.56(3) 1 d P A 2
O5 O 1.0695(10) 0.6349(7) 0.6376(7) 0.0314(17) Uani 1 1 d . . .
O6 O 1.3806(9) 0.7167(7) 0.8450(7) 0.0317(17) Uani 1 1 d . . .
O7 O 1.0507(10) 1.0120(7) 0.6729(7) 0.0347(18) Uani 1 1 d . . .
O8 O 0.9490(9) 0.9700(7) 0.4318(7) 0.0314(17) Uani 1 1 d . . .
C1 C 0.3448(17) -0.0108(12) 0.4047(12) 0.041(3) Uani 1 1 d . . .
H1A H 0.2399 -0.0546 0.3317 0.049 Uiso 1 1 calc R . .
H1B H 0.4514 -0.0080 0.3831 0.049 Uiso 1 1 calc R . .
C2 C 0.3283(15) -0.0988(12) 0.4760(12) 0.040(3) Uani 1 1 d . . .
H2A H 0.2394 -0.0875 0.5129 0.048 Uiso 1 1 calc R . .
H2B H 0.2876 -0.1966 0.4263 0.048 Uiso 1 1 calc R . .
C3 C 0.4869(16) -0.1144(12) 0.6503(11) 0.040(3) Uani 1 1 d . . .
H3A H 0.4645 -0.2141 0.6208 0.048 Uiso 1 1 calc R . .
H3B H 0.3877 -0.1020 0.6756 0.048 Uiso 1 1 calc R . .
C4 C 0.6582(17) -0.0422(12) 0.7506(12) 0.039(3) Uani 1 1 d . . .
H4A H 0.6543 -0.0802 0.8135 0.047 Uiso 1 1 calc R . .
H4B H 0.7579 -0.0546 0.7259 0.047 Uiso 1 1 calc R . .
C5 C 0.8097(18) 0.1664(13) 0.9043(12) 0.047(3) Uani 1 1 d . . .
H5A H 0.9198 0.1468 0.9077 0.057 Uiso 1 1 calc R . .
H5B H 0.7624 0.1334 0.9601 0.057 Uiso 1 1 calc R . .
C6 C 0.8493(19) 0.3193(12) 0.9350(12) 0.046(3) Uani 1 1 d . . .
H6A H 0.7384 0.3360 0.9044 0.055 Uiso 1 1 calc R . .
H6B H 0.9345 0.3584 0.8997 0.055 Uiso 1 1 calc R . .
C7 C 1.0529(17) 0.5798(12) 1.1125(12) 0.039(3) Uani 1 1 d . . .
H7A H 1.1150 0.6326 1.1968 0.047 Uiso 1 1 calc R . .
H7B H 1.1441 0.5864 1.0752 0.047 Uiso 1 1 calc R . .
C8 C 0.9255(17) 0.6454(13) 1.0622(11) 0.043(3) Uani 1 1 d . . .
H8A H 0.8114 0.6106 1.0743 0.052 Uiso 1 1 calc R . .
H8B H 0.9777 0.7466 1.1016 0.052 Uiso 1 1 calc R . .
C9 C 0.7502(17) 0.6376(12) 0.8829(11) 0.043(3) Uani 1 1 d . . .
H9A H 0.7593 0.7325 0.9226 0.051 Uiso 0.44(3) 1 calc PR A 1
H9B H 0.6378 0.5723 0.8797 0.051 Uiso 0.44(3) 1 calc PR A 1
H9C H 0.6483 0.5978 0.9057 0.051 Uiso 0.56(3) 1 d PR A 2
H9D H 0.7791 0.7383 0.9071 0.051 Uiso 0.56(3) 1 d PR A 2
C10 C 0.7537(17) 0.6207(12) 0.7696(11) 0.044(12) Uani 0.44(3) 1 d PRU A 1
H10A H 0.8637 0.6902 0.7743 0.053 Uiso 0.44(3) 1 calc PR A 1
H10B H 0.6506 0.6364 0.7235 0.053 Uiso 0.44(3) 1 calc PR A 1
C11 C 0.574(5) 0.391(4) 0.651(4) 0.050(11) Uani 0.44(3) 1 d PU A 1
H11A H 0.5090 0.4288 0.5986 0.060 Uiso 0.44(3) 1 calc PR A 1
H11B H 0.5137 0.3767 0.7072 0.060 Uiso 0.44(3) 1 calc PR A 1
C10' C 0.697(5) 0.582(3) 0.751(3) 0.058(8) Uani 0.56(3) 1 d P A 2
H10C H 0.6104 0.6203 0.7154 0.069 Uiso 0.56(3) 1 calc PR A 2
H10D H 0.8032 0.6113 0.7291 0.069 Uiso 0.56(3) 1 calc PR A 2
C11' C 0.681(3) 0.387(2) 0.616(2) 0.049(8) Uani 0.56(3) 1 d P A 2
H11C H 0.6497 0.4246 0.5533 0.059 Uiso 0.56(3) 1 calc PR A 2
H11D H 0.8112 0.4096 0.6446 0.059 Uiso 0.56(3) 1 calc PR A 2
C12 C 0.5880(16) 0.2410(13) 0.5742(11) 0.042(3) Uani 1 1 d . . .
H12A H 0.6145 0.1859 0.6233 0.050 Uiso 0.44(3) 1 calc PR A 1
H12B H 0.6767 0.2575 0.5355 0.050 Uiso 0.44(3) 1 calc PR A 1
H12C H 0.6609 0.1969 0.5394 0.050 Uiso 0.56(3) 1 d PR A 2
H12D H 0.5859 0.2150 0.6433 0.050 Uiso 0.56(3) 1 d PR A 2
C13 C 0.8843(15) 0.6824(11) 0.4892(10) 0.028(2) Uani 1 1 d . . .
H13A H 0.9605 0.7811 0.5271 0.033 Uiso 1 1 calc R . .
H13B H 0.7846 0.6654 0.5189 0.033 Uiso 1 1 calc R . .
C14 C 0.9914(16) 0.5953(11) 0.5170(10) 0.034(3) Uani 1 1 d . . .
H14A H 0.9130 0.4971 0.4839 0.041 Uiso 1 1 calc R . .
H14B H 1.0851 0.6069 0.4818 0.041 Uiso 1 1 calc R . .
C15 C 1.1598(16) 0.5481(11) 0.6685(11) 0.038(3) Uani 1 1 d . . .
H15A H 1.2591 0.5561 0.6383 0.045 Uiso 1 1 calc R . .
H15B H 1.0768 0.4511 0.6334 0.045 Uiso 1 1 calc R . .
C16 C 1.2311(16) 0.5892(11) 0.7987(10) 0.036(3) Uani 1 1 d . . .
H16A H 1.1375 0.6008 0.8308 0.043 Uiso 1 1 calc R . .
H16B H 1.2686 0.5170 0.8206 0.043 Uiso 1 1 calc R . .
C17 C 1.4426(16) 0.7770(12) 0.9667(10) 0.037(3) Uani 1 1 d . . .
H17A H 1.5713 0.8325 0.9951 0.044 Uiso 1 1 calc R . .
H17B H 1.4276 0.7035 1.0008 0.044 Uiso 1 1 calc R . .
C18 C 1.3439(17) 0.8689(12) 1.0078(12) 0.041(3) Uani 1 1 d . . .
H18A H 1.3846 0.9027 1.0939 0.049 Uiso 1 1 calc R . .
H18B H 1.2146 0.8145 0.9774 0.049 Uiso 1 1 calc R . .
C19 C 1.1839(15) 0.9532(11) 0.8327(11) 0.031(3) Uani 1 1 d . . .
H19A H 1.1766 0.8686 0.7747 0.038 Uiso 1 1 calc R . .
H19B H 1.0773 0.9315 0.8554 0.038 Uiso 1 1 calc R . .
C20 C 1.1908(16) 1.0654(11) 0.7808(10) 0.035(3) Uani 1 1 d . . .
H20A H 1.1788 1.1446 0.8339 0.042 Uiso 1 1 calc R . .
H20B H 1.3064 1.0975 0.7698 0.042 Uiso 1 1 calc R . .
C21 C 1.0359(16) 1.1169(11) 0.6288(10) 0.034(3) Uani 1 1 d . . .
H21A H 1.1509 1.1664 0.6237 0.041 Uiso 1 1 calc R . .
H21B H 1.0041 1.1838 0.6811 0.041 Uiso 1 1 calc R . .
C22 C 0.8938(16) 1.0528(13) 0.5101(11) 0.038(3) Uani 1 1 d . . .
H22A H 0.7821 0.9958 0.5144 0.046 Uiso 1 1 calc R . .
H22B H 0.8703 1.1258 0.4817 0.046 Uiso 1 1 calc R . .
C23 C 0.8160(16) 0.8947(12) 0.3225(10) 0.037(3) Uani 1 1 d . . .
H23A H 0.8725 0.8752 0.2636 0.045 Uiso 1 1 calc R . .
H23B H 0.7458 0.9513 0.3020 0.045 Uiso 1 1 calc R . .
C24 C 0.6921(15) 0.7609(11) 0.3179(10) 0.031(2) Uani 1 1 d . . .
H24A H 0.5914 0.7197 0.2426 0.037 Uiso 1 1 calc R . .
H24B H 0.6427 0.7799 0.3808 0.037 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 0.0033 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'
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'
I I -0.4742 1.8119 '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
S1 Cu1 Cu2 142.48(10) . .
S1 Cu1 I1 109.46(9) . .
Cu2 Cu1 I1 61.77(4) . .
S1 Cu1 I4 106.12(9) . .
Cu2 Cu1 I4 111.07(6) . .
I1 Cu1 I4 110.22(6) . .
S1 Cu1 Cu3 144.00(9) . .
Cu2 Cu1 Cu3 59.54(5) . .
I1 Cu1 Cu3 106.54(6) . .
I4 Cu1 Cu3 59.70(4) . .
S1 Cu1 I2 104.02(9) . .
Cu2 Cu1 I2 58.68(4) . .
I1 Cu1 I2 116.36(5) . .
I4 Cu1 I2 110.03(5) . .
Cu3 Cu1 I2 58.89(4) . .
S1 Cu1 Cu4 146.81(10) . .
Cu2 Cu1 Cu4 63.59(5) . .
I1 Cu1 Cu4 58.80(4) . .
I4 Cu1 Cu4 58.51(4) . .
Cu3 Cu1 Cu4 57.87(5) . .
I2 Cu1 Cu4 108.90(6) . .
S3 Cu2 I2 111.92(9) . .
S3 Cu2 Cu1 144.14(10) . .
I2 Cu2 Cu1 62.29(4) . .
S3 Cu2 Cu3 150.05(9) . .
I2 Cu2 Cu3 60.80(4) . .
Cu1 Cu2 Cu3 61.81(5) . .
S3 Cu2 I3 103.70(9) . .
I2 Cu2 I3 112.29(5) . .
Cu1 Cu2 I3 111.14(6) . .
Cu3 Cu2 I3 59.77(4) . .
S3 Cu2 I1 102.37(8) . .
I2 Cu2 I1 117.49(5) . .
Cu1 Cu2 I1 59.40(4) . .
Cu3 Cu2 I1 106.47(5) . .
I3 Cu2 I1 107.78(5) . .
S3 Cu2 Cu4 138.99(9) . .
I2 Cu2 Cu4 109.09(5) . .
Cu1 Cu2 Cu4 60.26(5) . .
Cu3 Cu2 Cu4 57.45(5) . .
I3 Cu2 Cu4 59.31(4) . .
I1 Cu2 Cu4 57.06(4) . .
S4 Cu3 Cu4 146.68(10) 1_444 .
S4 Cu3 I3 110.59(9) 1_444 .
Cu4 Cu3 I3 61.95(4) . .
S4 Cu3 Cu2 143.21(10) 1_444 .
Cu4 Cu3 Cu2 64.72(5) . .
I3 Cu3 Cu2 60.22(4) . .
S4 Cu3 I2 99.46(9) 1_444 .
Cu4 Cu3 I2 113.61(6) . .
I3 Cu3 I2 111.11(5) . .
Cu2 Cu3 I2 58.96(4) . .
S4 Cu3 I4 105.57(9) 1_444 .
Cu4 Cu3 I4 59.67(4) . .
I3 Cu3 I4 117.37(5) . .
Cu2 Cu3 I4 109.96(5) . .
I2 Cu3 I4 111.10(5) . .
S4 Cu3 Cu1 140.11(10) 1_444 .
Cu4 Cu3 Cu1 61.73(5) . .
I3 Cu3 Cu1 108.90(5) . .
Cu2 Cu3 Cu1 58.64(5) . .
I2 Cu3 Cu1 60.57(4) . .
I4 Cu3 Cu1 59.29(4) . .
S2 Cu4 Cu3 144.54(11) 1_454 .
S2 Cu4 I4 110.85(9) 1_454 .
Cu3 Cu4 I4 60.83(4) . .
S2 Cu4 I1 106.55(9) 1_454 .
Cu3 Cu4 I1 108.49(6) . .
I4 Cu4 I1 110.69(6) . .
S2 Cu4 I3 104.78(9) 1_454 .
Cu3 Cu4 I3 59.11(4) . .
I4 Cu4 I3 115.82(5) . .
I1 Cu4 I3 107.62(5) . .
S2 Cu4 Cu1 149.02(10) 1_454 .
Cu3 Cu4 Cu1 60.40(5) . .
I4 Cu4 Cu1 59.21(4) . .
I1 Cu4 Cu1 58.64(4) . .
I3 Cu4 Cu1 105.74(5) . .
S2 Cu4 Cu2 143.61(9) 1_454 .
Cu3 Cu4 Cu2 57.83(5) . .
I4 Cu4 Cu2 105.55(5) . .
I1 Cu4 Cu2 59.04(4) . .
I3 Cu4 Cu2 57.13(4) . .
Cu1 Cu4 Cu2 56.15(5) . .
Cu1 I1 Cu4 62.56(5) . .
Cu1 I1 Cu2 58.84(4) . .
Cu4 I1 Cu2 63.91(4) . .
Cu2 I2 Cu3 60.24(4) . .
Cu2 I2 Cu1 59.03(4) . .
Cu3 I2 Cu1 60.54(4) . .
Cu3 I3 Cu2 60.01(4) . .
Cu3 I3 Cu4 58.94(4) . .
Cu2 I3 Cu4 63.56(5) . .
Cu4 I4 Cu1 62.28(5) . .
Cu4 I4 Cu3 59.50(4) . .
Cu1 I4 Cu3 61.01(4) . .
C1 S1 C12 102.3(6) . .
C1 S1 Cu1 101.7(5) . .
C12 S1 Cu1 106.2(4) . .
C6 S2 C7 102.8(6) . .
C6 S2 Cu4 108.6(5) . 1_656
C7 S2 Cu4 102.4(4) . 1_656
C24 S3 C13 102.4(5) . .
C24 S3 Cu2 102.2(4) . .
C13 S3 Cu2 106.2(4) . .
C18 S4 C19 101.0(6) . .
C18 S4 Cu3 104.5(4) . 1_666
C19 S4 Cu3 108.1(4) . 1_666
C3 O1 C2 113.5(9) . .
C5 O2 C4 110.7(10) . .
C9 O3 C8 112.5(9) . .
C11 O4 C10 109(2) . .
C10' O4' C11' 109(2) . .
C14 O5 C15 111.6(8) . .
C17 O6 C16 113.9(9) . .
C20 O7 C21 110.8(8) . .
C23 O8 C22 113.2(8) . .
C2 C1 S1 116.0(10) . .
O1 C2 C1 108.9(10) . .
O1 C3 C4 109.5(10) . .
O2 C4 C3 107.7(10) . .
O2 C5 C6 107.9(12) . .
C5 C6 S2 108.6(9) . .
C8 C7 S2 113.6(9) . .
O3 C8 C7 108.1(9) . .
O3 C9 C10 106.5(6) . .
O3 C9 C10' 114.1(15) . .
C10 C9 C10' 18.6(16) . .
C9 C10 O4 111.5(12) . .
O4 C11 C12 104(3) . .
O4' C10' C9 110(2) . .
C12 C11' O4' 105.5(19) . .
C11' C12 C11 39.6(14) . .
C11' C12 S1 120.9(14) . .
C11 C12 S1 98.0(15) . .
C14 C13 S3 108.8(7) . .
O5 C14 C13 109.5(8) . .
O5 C15 C16 109.5(9) . .
O6 C16 C15 108.3(10) . .
O6 C17 C18 112.2(10) . .
C17 C18 S4 111.0(9) . .
C20 C19 S4 108.5(8) . .
O7 C20 C19 108.7(9) . .
O7 C21 C22 108.5(9) . .
O8 C22 C21 109.9(9) . .
O8 C23 C24 113.0(9) . .
C23 C24 S3 113.2(8) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Cu1 S1 2.299(3) .
Cu1 Cu2 2.6419(18) .
Cu1 I1 2.6574(14) .
Cu1 I4 2.6804(16) .
Cu1 Cu3 2.7268(19) .
Cu1 I2 2.7276(14) .
Cu1 Cu4 2.762(2) .
Cu2 S3 2.305(3) .
Cu2 I2 2.6321(15) .
Cu2 Cu3 2.6668(18) .
Cu2 I3 2.6725(17) .
Cu2 I1 2.7202(15) .
Cu2 Cu4 2.8489(19) .
Cu3 S4 2.290(3) 1_444
Cu3 Cu4 2.6557(18) .
Cu3 I3 2.6604(15) .
Cu3 I2 2.6815(16) .
Cu3 I4 2.6915(15) .
Cu4 S2 2.302(3) 1_454
Cu4 I4 2.6604(15) .
Cu4 I1 2.6621(17) .
Cu4 I3 2.7361(16) .
S1 C1 1.798(12) .
S1 C12 1.807(12) .
S2 C6 1.813(14) .
S2 C7 1.815(12) .
S2 Cu4 2.302(3) 1_656
S3 C24 1.800(12) .
S3 C13 1.806(12) .
S4 C18 1.798(13) .
S4 C19 1.801(12) .
S4 Cu3 2.290(3) 1_666
O1 C3 1.388(14) .
O1 C2 1.408(14) .
O2 C5 1.405(16) .
O2 C4 1.419(15) .
O3 C9 1.401(15) .
O3 C8 1.405(15) .
O4 C11 1.36(5) .
O4 C10 1.52(2) .
O4' C10' 1.35(4) .
O4' C11' 1.46(3) .
O5 C14 1.396(14) .
O5 C15 1.420(13) .
O6 C17 1.402(14) .
O6 C16 1.437(13) .
O7 C20 1.405(14) .
O7 C21 1.406(13) .
O8 C23 1.398(14) .
O8 C22 1.414(13) .
C1 C2 1.475(18) .
C3 C4 1.489(17) .
C5 C6 1.513(17) .
C7 C8 1.526(18) .
C9 C10 1.4117 .
C9 C10' 1.52(3) .
C11 C12 1.72(4) .
C11' C12 1.43(2) .
C13 C14 1.507(15) .
C15 C16 1.502(17) .
C17 C18 1.526(16) .
C19 C20 1.513(16) .
C21 C22 1.501(17) .
C23 C24 1.505(16) .
