#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:13:50 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179682 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/04/7000446.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_7000446
loop_
_publ_author_name
'Knorr, Michael'
'Guyon, Fabrice'
'Khatyr, Abderrahim'
'Däschlein, Christian'
'Strohmann, Carsten'
'Aly, Shawkat M.'
'Abd-El-Aziz, Alaa S.'
'Fortin, Daniel'
'Harvey, Pierre D.'
_publ_section_title
;
 Rigidity effect of the dithioether spacer on the size of the
 luminescent cluster (Cu2I2)n (n = 2, 3) in their coordination polymers
;
_journal_issue                   6
_journal_name_full               'Dalton Transactions'
_journal_page_first              948
_journal_page_last               955
_journal_paper_doi               10.1039/b816987j
_journal_year                    2009
_chemical_formula_sum            'C32 H36 Cu4 I4 S4'
_chemical_formula_weight         1310.61
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_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_date             2008-06-10T16:18:33-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                92.10(3)
_cell_angle_beta                 99.40(3)
_cell_angle_gamma                111.79(3)
_cell_formula_units_Z            2
_cell_length_a                   11.580(2)
_cell_length_b                   11.594(2)
_cell_length_c                   15.753(3)
_cell_measurement_temperature    173(2)
_cell_volume                     1926.5(8)
_computing_cell_refinement       'Cell in IPDS (Stoe & Cie, 1999)'
_computing_data_collection       'Expose in IPDS (Stoe & Cie, 1999)'
_computing_data_reduction        'Integrate in IPDS (Stoe & Cie, 1999)'
_computing_molecular_graphics    'Schakal99 (Keller, 1999)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.935
_diffrn_measured_fraction_theta_max 0.935
_diffrn_measurement_device_type  'Stoe IPDS'
_diffrn_measurement_method       'phi scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0644
_diffrn_reflns_av_unetI/netI     0.0466
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            23034
_diffrn_reflns_theta_full        26
_diffrn_reflns_theta_max         26
_diffrn_reflns_theta_min         2.13
_exptl_absorpt_coefficient_mu    5.622
_exptl_absorpt_correction_T_max  0.331
_exptl_absorpt_correction_T_min  0.2680
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'FACEIT in IPDS (Stoe & Cie, 1999)'
_exptl_crystal_density_diffrn    2.259
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1240
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         2.769
_refine_diff_density_min         -3.1
_refine_diff_density_rms         0.313
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         7075
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.002
_refine_ls_R_factor_all          0.0664
_refine_ls_R_factor_gt           0.0584
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1200P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1426
_refine_ls_wR_factor_ref         0.1519
_reflns_number_gt                6014
_reflns_number_total             7075
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            B816987j.txt
_cod_data_source_block           mk120206
_cod_original_cell_volume        1926.5(7)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000446
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
C1 C 0.4702(8) 0.0443(8) 1.0116(6) 0.0289(17) Uani 1 1 d . . .
H1A H 0.4839 0.0588 1.0754 0.035 Uiso 1 1 calc R . .
H1B H 0.3777 0.0046 0.9897 0.035 Uiso 1 1 calc R . .
C2 C 0.5207(9) 0.1694(8) 0.9760(6) 0.0329(19) Uani 1 1 d . . .
H2A H 0.6144 0.2041 0.9911 0.039 Uiso 1 1 calc R . .
H2B H 0.4907 0.2278 1.0042 0.039 Uiso 1 1 calc R . .
C3 C 0.3236(7) 0.1749(7) 0.8430(5) 0.0215(15) Uani 1 1 d . . .
C4 C 0.2910(9) 0.2486(8) 0.8975(7) 0.036(2) Uani 1 1 d . . .
H4 H 0.3474 0.2912 0.9498 0.044 Uiso 1 1 calc R . .
C5 C 0.1732(10) 0.2601(9) 0.8750(8) 0.046(3) Uani 1 1 d . . .
H5 H 0.152 0.314 0.9108 0.055 Uiso 1 1 calc R . .
C6 C 0.0890(9) 0.1941(10) 0.8018(7) 0.043(2) Uani 1 1 d . . .
H6 H 0.0071 0.1969 0.7894 0.051 Uiso 1 1 calc R . .
C7 C 0.1238(10) 0.1235(11) 0.7463(8) 0.051(3) Uani 1 1 d . . .
H7 H 0.0672 0.0812 0.6941 0.061 Uiso 1 1 calc R . .
C8 C 0.2403(8) 0.1140(9) 0.7662(6) 0.036(2) Uani 1 1 d . . .
H8 H 0.2637 0.0657 0.7274 0.043 Uiso 1 1 calc R . .
C9 C 0.2674(7) 0.5028(8) 0.6332(5) 0.0259(17) Uani 1 1 d . . .
H9A H 0.2745 0.5867 0.6552 0.031 Uiso 1 1 calc R . .
H9B H 0.2963 0.4633 0.6825 0.031 Uiso 1 1 calc R . .
C10 C 0.3492(7) 0.5147(7) 0.5663(5) 0.0233(16) Uani 1 1 d . . .
H10A H 0.3179 0.5535 0.5175 0.028 Uiso 1 1 calc R . .
H10B H 0.3381 0.4297 0.5437 0.028 Uiso 1 1 calc R . .
C11 C 0.5230(7) 0.7501(7) 0.6443(6) 0.0261(17) Uani 1 1 d . . .
C12 C 0.4547(8) 0.8118(8) 0.5986(6) 0.0287(17) Uani 1 1 d . . .
H12 H 0.3963 0.7714 0.5466 0.034 Uiso 1 1 calc R . .
C13 C 0.4709(9) 0.9309(8) 0.6280(7) 0.039(2) Uani 1 1 d . . .
H13 H 0.4261 0.974 0.5956 0.047 Uiso 1 1 calc R . .
C14 C 0.5528(10) 0.9870(9) 0.7048(8) 0.043(3) Uani 1 1 d . . .
H14 H 0.5619 1.0681 0.7265 0.052 Uiso 1 1 calc R . .
C15 C 0.6220(10) 0.9266(8) 0.7510(7) 0.039(2) Uani 1 1 d . . .
H15 H 0.6803 0.9675 0.8029 0.046 Uiso 1 1 calc R . .
C16 C 0.6061(8) 0.8076(7) 0.7216(5) 0.0260(17) Uani 1 1 d . . .
H16 H 0.6514 0.765 0.7539 0.031 Uiso 1 1 calc R . .
C17 C 1.0271(8) 0.9479(8) 0.9974(6) 0.0295(18) Uani 1 1 d . . .
H17A H 1.1121 0.9828 0.9821 0.035 Uiso 1 1 calc R . .
H17B H 1.0353 0.915 1.0542 0.035 Uiso 1 1 calc R . .
C18 C 0.9369(8) 0.8419(7) 0.9282(6) 0.0297(18) Uani 1 1 d . . .
H18A H 0.9483 0.8688 0.8701 0.036 Uiso 1 1 calc R . .
H18B H 0.8483 0.8263 0.9332 0.036 Uiso 1 1 calc R . .
C19 C 1.1005(7) 0.7160(8) 0.8938(5) 0.0251(17) Uani 1 1 d . . .
C20 C 1.1571(8) 0.8102(8) 0.8466(6) 0.0327(19) Uani 1 1 d . . .
H20 H 1.1274 0.8759 0.8385 0.039 Uiso 1 1 calc R . .
C21 C 1.2584(9) 0.8094(10) 0.8106(7) 0.041(2) Uani 1 1 d . . .
H21 H 1.2974 0.8752 0.7778 0.049 Uiso 1 1 calc R . .
C22 C 1.3032(8) 0.7176(10) 0.8209(6) 0.043(3) Uani 1 1 d . . .
H22 H 1.3729 0.7195 0.7958 0.052 Uiso 1 1 calc R . .
C23 C 1.2463(8) 0.6195(10) 0.8689(7) 0.044(3) Uani 1 1 d . . .
H23 H 1.2766 0.554 0.8759 0.053 Uiso 1 1 calc R . .
C24 C 1.1446(7) 0.6190(9) 0.9061(6) 0.0321(19) Uani 1 1 d . . .
H24 H 1.1058 0.5538 0.9394 0.039 Uiso 1 1 calc R . .
C25 C 1.1307(7) 0.4239(8) 0.5932(6) 0.0285(18) Uani 1 1 d . . .
H25A H 1.1218 0.3362 0.5819 0.034 Uiso 1 1 calc R . .
H25B H 1.1088 0.4533 0.5368 0.034 Uiso 1 1 calc R . .
C26 C 1.0372(7) 0.4283(8) 0.6499(5) 0.0232(16) Uani 1 1 d . . .
H26A H 1.0598 0.5159 0.6734 0.028 Uiso 1 1 calc R . .
H26B H 1.0442 0.3794 0.6993 0.028 Uiso 1 1 calc R . .
C27 C 0.8570(7) 0.2146(8) 0.5552(6) 0.033(2) Uani 1 1 d . . .
C28 C 0.8129(8) 0.1151(9) 0.6030(8) 0.044(3) Uani 1 1 d . . .
H28 H 0.7921 0.1278 0.6575 0.053 Uiso 1 1 calc R . .
C29 C 0.7993(10) -0.0019(10) 0.5716(11) 0.066(4) Uani 1 1 d . . .
H29 H 0.7696 -0.0709 0.6041 0.079 Uiso 1 1 calc R . .
C30 C 0.8304(11) -0.0178(13) 0.4896(11) 0.070(4) Uani 1 1 d . . .
H30 H 0.8203 -0.0987 0.4668 0.083 Uiso 1 1 calc R . .
C31 C 0.8732(10) 0.0781(12) 0.4445(9) 0.061(4) Uani 1 1 d . . .
H31 H 0.8968 0.0653 0.391 0.074 Uiso 1 1 calc R . .
C32 C 0.8844(9) 0.1975(10) 0.4734(7) 0.044(2) Uani 1 1 d . . .
H32 H 0.9097 0.2648 0.4389 0.053 Uiso 1 1 calc R . .
Cu1 Cu 0.60231(9) 0.33504(9) 0.80706(7) 0.0249(2) Uani 1 1 d . . .
Cu2 Cu 0.60618(9) 0.51404(8) 0.70627(6) 0.0246(2) Uani 1 1 d . . .
Cu3 Cu 0.80444(8) 0.55371(9) 0.83318(6) 0.0248(2) Uani 1 1 d . . .
Cu4 Cu 0.75807(9) 0.38953(10) 0.69009(7) 0.0275(2) Uani 1 1 d . . .
I1 I 0.58274(4) 0.53966(5) 0.87137(3) 0.02459(15) Uani 1 1 d . . .
I2 I 0.83205(4) 0.33329(5) 0.84648(3) 0.02464(15) Uani 1 1 d . . .
I3 I 0.51100(4) 0.28156(4) 0.63498(3) 0.02182(15) Uani 1 1 d . . .
I4 I 0.85058(4) 0.64647(5) 0.68553(3) 0.02420(15) Uani 1 1 d . . .
S1 S 0.47273(17) 0.16081(17) 0.85917(13) 0.0231(4) Uani 1 1 d . . .
S2 S 0.51700(16) 0.60469(16) 0.60267(12) 0.0192(4) Uani 1 1 d . . .
S3 S 0.96308(17) 0.69709(17) 0.93762(13) 0.0227(4) Uani 1 1 d . . .
S4 S 0.87570(17) 0.36681(19) 0.59162(13) 0.0257(4) 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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
_geom_angle_publ_flag
C1 C1 C2 114.3(9) 2_657 . ?
C1 C2 S1 113.6(6) . . ?
C4 C3 C8 119.6(8) . . ?
C4 C3 S1 124.2(7) . . ?
C8 C3 S1 116.0(6) . . ?
C3 C4 C5 119.3(9) . . ?
C6 C5 C4 120.5(8) . . ?
C5 C6 C7 119.7(9) . . ?
C6 C7 C8 120.4(10) . . ?
C7 C8 C3 120.2(8) . . ?
C10 C9 C25 109.6(7) . 1_455 ?
C9 C10 S2 116.1(6) . . ?
C12 C11 C16 120.0(7) . . ?
C12 C11 S2 121.5(7) . . ?
C16 C11 S2 118.3(6) . . ?
C13 C12 C11 120.5(8) . . ?
C12 C13 C14 119.2(9) . . ?
C13 C14 C15 120.9(8) . . ?
C16 C15 C14 119.9(9) . . ?
C15 C16 C11 119.5(8) . . ?
C18 C17 C17 109.0(8) . 2_777 ?
C17 C18 S3 112.9(6) . . ?
C20 C19 C24 120.4(8) . . ?
C20 C19 S3 125.1(7) . . ?
C24 C19 S3 114.4(7) . . ?
C19 C20 C21 119.5(9) . . ?
C22 C21 C20 121.8(10) . . ?
C21 C22 C23 119.8(8) . . ?
C24 C23 C22 119.3(10) . . ?
C23 C24 C19 119.2(9) . . ?
C9 C25 C26 113.4(7) 1_655 . ?
C25 C26 S4 112.5(6) . . ?
C28 C27 C32 121.1(9) . . ?
C28 C27 S4 122.1(7) . . ?
C32 C27 S4 116.7(8) . . ?
C29 C28 C27 120.0(11) . . ?
C28 C29 C30 118.6(13) . . ?
C31 C30 C29 121.1(11) . . ?
C30 C31 C32 121.6(12) . . ?
C31 C32 C27 117.5(12) . . ?
S1 Cu1 I2 105.45(6) . . ?
S1 Cu1 I1 111.07(6) . . ?
I2 Cu1 I1 113.97(5) . . ?
S1 Cu1 Cu2 144.34(7) . . ?
I2 Cu1 Cu2 109.38(5) . . ?
I1 Cu1 Cu2 60.69(3) . . ?
S1 Cu1 Cu3 150.34(7) . . ?
I2 Cu1 Cu3 60.82(4) . . ?
I1 Cu1 Cu3 60.18(4) . . ?
Cu2 Cu1 Cu3 59.89(4) . . ?
S1 Cu1 I3 101.41(7) . . ?
I2 Cu1 I3 111.23(5) . . ?
I1 Cu1 I3 112.75(5) . . ?
Cu2 Cu1 I3 58.81(4) . . ?
Cu3 Cu1 I3 108.06(6) . . ?
S1 Cu1 Cu4 138.04(7) . . ?
I2 Cu1 Cu4 59.54(4) . . ?
I1 Cu1 Cu4 110.72(5) . . ?
Cu2 Cu1 Cu4 60.22(4) . . ?
Cu3 Cu1 Cu4 60.90(5) . . ?
I3 Cu1 Cu4 58.26(4) . . ?
S2 Cu2 I3 100.23(6) . . ?
S2 Cu2 Cu1 153.85(7) . . ?
I3 Cu2 Cu1 61.59(4) . . ?
S2 Cu2 Cu3 144.60(7) . . ?
I3 Cu2 Cu3 111.15(5) . . ?
Cu1 Cu2 Cu3 60.93(5) . . ?
S2 Cu2 I1 121.01(6) . . ?
I3 Cu2 I1 114.22(5) . . ?
Cu1 Cu2 I1 59.58(4) . . ?
Cu3 Cu2 I1 60.17(4) . . ?
S2 Cu2 Cu4 128.27(7) . . ?
I3 Cu2 Cu4 59.42(4) . . ?
Cu1 Cu2 Cu4 61.08(4) . . ?
Cu3 Cu2 Cu4 61.53(4) . . ?
I1 Cu2 Cu4 110.53(5) . . ?
S2 Cu2 I4 94.45(6) . . ?
I3 Cu2 I4 113.95(5) . . ?
Cu1 Cu2 I4 109.82(5) . . ?
Cu3 Cu2 I4 58.43(4) . . ?
I1 Cu2 I4 111.31(5) . . ?
Cu4 Cu2 I4 61.24(4) . . ?
S3 Cu3 I4 104.02(7) . . ?
S3 Cu3 Cu2 146.59(7) . . ?
I4 Cu3 Cu2 62.38(4) . . ?
S3 Cu3 I1 107.00(6) . . ?
I4 Cu3 I1 114.60(5) . . ?
Cu2 Cu3 I1 60.03(4) . . ?
S3 Cu3 Cu1 144.32(7) . . ?
I4 Cu3 Cu1 111.64(5) . . ?
Cu2 Cu3 Cu1 59.18(5) . . ?
I1 Cu3 Cu1 58.96(4) . . ?
S3 Cu3 I2 106.47(7) . . ?
I4 Cu3 I2 113.10(4) . . ?
Cu2 Cu3 I2 106.94(5) . . ?
I1 Cu3 I2 110.88(5) . . ?
Cu1 Cu3 I2 58.52(3) . . ?
S3 Cu3 Cu4 144.08(6) . . ?
I4 Cu3 Cu4 61.91(4) . . ?
Cu2 Cu3 Cu4 59.63(4) . . ?
I1 Cu3 Cu4 108.88(5) . . ?
Cu1 Cu3 Cu4 59.87(5) . . ?
I2 Cu3 Cu4 58.46(4) . . ?
S4 Cu4 I3 114.19(7) . . ?
S4 Cu4 I2 113.32(6) . . ?
I3 Cu4 I2 112.67(5) . . ?
S4 Cu4 Cu2 136.68(7) . . ?
I3 Cu4 Cu2 59.09(4) . . ?
I2 Cu4 Cu2 107.54(5) . . ?
S4 Cu4 Cu1 161.11(7) . . ?
I3 Cu4 Cu1 60.63(4) . . ?
I2 Cu4 Cu1 58.81(4) . . ?
Cu2 Cu4 Cu1 58.70(4) . . ?
S4 Cu4 Cu3 134.55(7) . . ?
I3 Cu4 Cu3 108.63(5) . . ?
I2 Cu4 Cu3 60.00(4) . . ?
Cu2 Cu4 Cu3 58.84(4) . . ?
Cu1 Cu4 Cu3 59.24(4) . . ?
S4 Cu4 I4 91.44(7) . . ?
I3 Cu4 I4 113.00(5) . . ?
I2 Cu4 I4 110.48(5) . . ?
Cu2 Cu4 I4 60.49(4) . . ?
Cu1 Cu4 I4 107.35(5) . . ?
Cu3 Cu4 I4 57.37(4) . . ?
Cu1 I1 Cu2 59.73(4) . . ?
Cu1 I1 Cu3 60.86(4) . . ?
Cu2 I1 Cu3 59.81(4) . . ?
Cu1 I2 Cu4 61.65(4) . . ?
Cu1 I2 Cu3 60.66(4) . . ?
Cu4 I2 Cu3 61.54(4) . . ?
Cu2 I3 Cu4 61.49(4) . . ?
Cu2 I3 Cu1 59.60(4) . . ?
Cu4 I3 Cu1 61.10(4) . . ?
Cu3 I4 Cu2 59.19(4) . . ?
Cu3 I4 Cu4 60.72(4) . . ?
Cu2 I4 Cu4 58.28(4) . . ?
C3 S1 C2 105.3(4) . . ?
C3 S1 Cu1 104.1(3) . . ?
C2 S1 Cu1 110.4(3) . . ?
C11 S2 C10 103.6(3) . . ?
C11 S2 Cu2 111.2(3) . . ?
C10 S2 Cu2 112.0(3) . . ?
C19 S3 C18 106.7(4) . . ?
C19 S3 Cu3 101.6(3) . . ?
C18 S3 Cu3 104.6(3) . . ?
C27 S4 C26 101.4(4) . . ?
C27 S4 Cu4 118.1(3) . . ?
C26 S4 Cu4 105.1(3) . . ?
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
C1 C1 1.499(17) 2_657 ?
C1 C2 1.516(12) . ?
C2 S1 1.821(9) . ?
C3 C4 1.379(11) . ?
C3 C8 1.394(12) . ?
C3 S1 1.773(7) . ?
C4 C5 1.408(14) . ?
C5 C6 1.371(16) . ?
C6 C7 1.380(15) . ?
C7 C8 1.380(13) . ?
C9 C10 1.506(10) . ?
C9 C25 1.515(11) 1_455 ?
C10 S2 1.811(8) . ?
C11 C12 1.388(11) . ?
C11 C16 1.392(12) . ?
C11 S2 1.759(8) . ?
C12 C13 1.375(12) . ?
C13 C14 1.377(16) . ?
C14 C15 1.388(14) . ?
C15 C16 1.374(11) . ?
C17 C18 1.538(11) . ?
C17 C17 1.560(15) 2_777 ?
C18 S3 1.821(8) . ?
C19 C20 1.364(13) . ?
C19 C24 1.405(12) . ?
C19 S3 1.780(8) . ?
C20 C21 1.387(12) . ?
C21 C22 1.349(16) . ?
C22 C23 1.403(16) . ?
C23 C24 1.397(12) . ?
C25 C9 1.515(11) 1_655 ?
C25 C26 1.525(10) . ?
C26 S4 1.802(8) . ?
C27 C28 1.382(15) . ?
C27 C32 1.401(14) . ?
C27 S4 1.758(9) . ?
C28 C29 1.368(14) . ?
C29 C30 1.42(2) . ?
C30 C31 1.32(2) . ?
C31 C32 1.393(15) . ?
Cu1 S1 2.298(2) . ?
Cu1 I2 2.6391(12) . ?
Cu1 I1 2.6465(12) . ?
Cu1 Cu2 2.6505(16) . ?
Cu1 Cu3 2.6978(17) . ?
Cu1 I3 2.7027(14) . ?
Cu1 Cu4 2.7151(16) . ?
Cu2 S2 2.284(2) . ?
Cu2 I3 2.6286(14) . ?
Cu2 Cu3 2.6700(17) . ?
Cu2 I1 2.6759(13) . ?
Cu2 Cu4 2.6921(14) . ?
Cu2 I4 2.7543(14) . ?
Cu3 S3 2.322(2) . ?
Cu3 I4 2.6485(14) . ?
Cu3 I1 2.6797(12) . ?
Cu3 I2 2.7020(12) . ?
Cu3 Cu4 2.7431(16) . ?
Cu4 S4 2.293(2) . ?
Cu4 I3 2.6375(14) . ?
Cu4 I2 2.6592(14) . ?
Cu4 I4 2.7745(14) . ?
