#------------------------------------------------------------------------------
#$Date: 2017-01-03 18:35:49 +0200 (Tue, 03 Jan 2017) $
#$Revision: 189767 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/00/88/7008814.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_7008814
loop_
_publ_author_name
'Shi, Weifeng'
'Shafaei-Fallah, Maryam'
'Anson, Christopher E.'
'Rothenberger, Alexander'
_publ_section_title
;
 A strategy for the build-up of transition-metal complexes containing
 tripodal [ArPOS2]2- and [ArPS3]2- ligands (Ar = 4-anisyl).
;
_journal_issue                   24
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3909
_journal_page_last               3912
_journal_paper_doi               10.1039/b509117a
_journal_year                    2005
_chemical_formula_sum            'C88 H78 Cl4 Cu4 O2 P6 S6'
_chemical_formula_weight         1941.64
_chemical_name_systematic        ?
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 113.02(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   12.960(3)
_cell_length_b                   22.853(5)
_cell_length_c                   15.976(3)
_cell_measurement_reflns_used    2000
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      3
_cell_volume                     4354.9(19)
_computing_cell_refinement       'kuma ccd 1.168'
_computing_data_collection       'kuma ccd 1.168'
_computing_data_reduction        'kuma ccd 1.168'
_computing_molecular_graphics    'SHELXL-97 (Sheldrick, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 6.667
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.691
_diffrn_measurement_device_type  'stoe stadi v'
_diffrn_measurement_method       ccd
_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  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0379
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -30
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            28160
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.82
_diffrn_reflns_theta_min         3.75
_exptl_absorpt_coefficient_mu    1.387
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.481
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1984
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.30
_refine_diff_density_max         1.128
_refine_diff_density_min         -0.826
_refine_diff_density_rms         0.208
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.134
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     507
_refine_ls_number_reflns         10288
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.136
_refine_ls_R_factor_all          0.0613
_refine_ls_R_factor_gt           0.0442
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0950P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1271
_refine_ls_wR_factor_ref         0.1556
_reflns_number_gt                7874
_reflns_number_total             10288
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b509117a.txt
_cod_data_source_block           1
_cod_original_cell_volume        4354.9(15)
_cod_original_sg_symbol_H-M      P2(1)/c
_cod_database_code               7008814
_cod_depositor_comments
;
 Marking attached hydrogen atoms.

 Antanas Vaitkus,
 2017-01-03
;
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
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
_atom_site_attached_hydrogens
O1 O 0.1188(3) 1.29881(13) -0.0435(2) 0.0646(9) Uani 1 1 d D . . 0
Cu1 Cu 0.62012(3) 1.075446(15) -0.00826(3) 0.02533(11) Uani 1 1 d . . . 0
Cu2 Cu 0.50622(3) 0.999421(15) -0.14825(3) 0.02933(12) Uani 1 1 d . . . 0
P1 P 0.38601(6) 1.08194(3) -0.01355(5) 0.01928(15) Uani 1 1 d . . . 0
P2 P 0.72265(6) 1.15017(3) -0.02389(5) 0.02162(16) Uani 1 1 d . . . 0
P3 P 0.51165(6) 0.99904(3) -0.28579(5) 0.02287(17) Uani 1 1 d . . . 0
S1 S 0.53319(6) 1.09094(3) 0.09751(5) 0.02242(16) Uani 1 1 d . . . 0
S2 S 0.41941(6) 1.08106(3) -0.12785(5) 0.02321(16) Uani 1 1 d . . . 0
S3 S 0.70412(6) 0.98628(3) -0.00410(5) 0.02457(16) Uani 1 1 d . . . 0
Cl1 Cl 1.04559(9) 0.96831(6) -0.29383(9) 0.0693(3) Uani 1 1 d . B . 0
C1 C 0.3040(2) 1.14774(12) -0.0212(2) 0.0250(6) Uani 1 1 d . . . 0
C2 C 0.2824(3) 1.16517(16) 0.0517(2) 0.0402(8) Uani 1 1 d . A . 0
H2A H 0.3093 1.1424 0.1058 0.048 Uiso 1 1 calc R . . 0
C3 C 0.2215(3) 1.21578(19) 0.0482(3) 0.0544(11) Uani 1 1 d . . . 0
H3A H 0.2080 1.2280 0.0999 0.065 Uiso 1 1 calc R A . 0
C4 C 0.1805(3) 1.24831(15) -0.0311(3) 0.0428(9) Uani 1 1 d . A . 0
C5 C 0.2012(3) 1.23135(15) -0.1048(3) 0.0402(8) Uani 1 1 d . . . 0
H5A H 0.1735 1.2539 -0.1591 0.048 Uiso 1 1 calc R A . 0
C6 C 0.2625(3) 1.18128(14) -0.1000(2) 0.0349(7) Uani 1 1 d . A . 0
H6A H 0.2766 1.1695 -0.1516 0.042 Uiso 1 1 calc R . . 0
C7 C 0.1164(8) 1.3290(4) 0.0321(5) 0.050(3) Uiso 0.55(2) 1 d PD A 1 0
H7A H 0.1666 1.3629 0.0450 0.074 Uiso 0.55(2) 1 calc PR A 1 0
H7B H 0.1411 1.3029 0.0850 0.074 Uiso 0.55(2) 1 calc PR A 1 0
H7C H 0.0398 1.3423 0.0191 0.074 Uiso 0.55(2) 1 calc PR A 1 0
C7A C 0.0716(14) 1.3045(8) 0.0320(9) 0.083(5) Uiso 0.45(2) 1 d PD A 2 0
H7AA H 0.0192 1.2724 0.0263 0.125 Uiso 0.45(2) 1 calc PR A 2 0
H7AB H 0.0323 1.3420 0.0253 0.125 Uiso 0.45(2) 1 calc PR A 2 0
H7AC H 0.1335 1.3028 0.0919 0.125 Uiso 0.45(2) 1 calc PR A 2 0
C8 C 0.8332(2) 1.12591(12) -0.0599(2) 0.0250(6) Uani 1 1 d . . . 0
C9 C 0.9422(3) 1.1196(2) 0.0009(3) 0.0539(11) Uani 1 1 d . . . 0
H9A H 0.9635 1.1328 0.0618 0.065 Uiso 1 1 calc R . . 0
C10 C 1.0221(3) 1.0939(3) -0.0264(3) 0.0707(15) Uani 1 1 d . . . 0
H10A H 1.0972 1.0893 0.0163 0.085 Uiso 1 1 calc R . . 0
C11 C 0.9932(3) 1.07576(19) -0.1127(3) 0.0505(10) Uani 1 1 d . . . 0
H11A H 1.0476 1.0580 -0.1306 0.061 Uiso 1 1 calc R . . 0
C12 C 0.8856(3) 1.08282(18) -0.1747(3) 0.0445(9) Uani 1 1 d . . . 0
H12A H 0.8659 1.0710 -0.2361 0.053 Uiso 1 1 calc R . . 0
C13 C 0.8052(3) 1.10730(16) -0.1479(2) 0.0379(8) Uani 1 1 d . . . 0
H13A H 0.7302 1.1112 -0.1908 0.045 Uiso 1 1 calc R . . 0
C14 C 0.7968(2) 1.19228(13) 0.0795(2) 0.0271(6) Uani 1 1 d . . . 0
C15 C 0.8327(3) 1.16317(16) 0.1631(2) 0.0388(8) Uani 1 1 d . . . 0
H15A H 0.8165 1.1228 0.1650 0.047 Uiso 1 1 calc R . . 0
C16 C 0.8916(3) 1.1929(2) 0.2428(3) 0.0479(9) Uani 1 1 d . . . 0
H16A H 0.9181 1.1724 0.2990 0.057 Uiso 1 1 calc R . . 0
C17 C 0.9123(3) 1.25200(19) 0.2416(3) 0.0482(10) Uani 1 1 d . . . 0
H17A H 0.9511 1.2724 0.2969 0.058 Uiso 1 1 calc R . . 0
C18 C 0.8764(3) 1.28148(17) 0.1597(3) 0.0504(10) Uani 1 1 d . . . 0
H18A H 0.8912 1.3221 0.1586 0.061 Uiso 1 1 calc R . . 0
C19 C 0.8190(3) 1.25190(15) 0.0793(2) 0.0408(8) Uani 1 1 d . . . 0
H19A H 0.7944 1.2725 0.0232 0.049 Uiso 1 1 calc R . . 0
C20 C 0.6462(2) 1.20659(12) -0.1051(2) 0.0246(6) Uani 1 1 d . . . 0
C21 C 0.6865(3) 1.23502(14) -0.1634(2) 0.0329(7) Uani 1 1 d . . . 0
H21A H 0.7577 1.2246 -0.1629 0.039 Uiso 1 1 calc R . . 0
C22 C 0.6236(3) 1.27845(16) -0.2222(3) 0.0441(8) Uani 1 1 d . . . 0
H22A H 0.6509 1.2974 -0.2623 0.053 Uiso 1 1 calc R . . 0
C23 C 0.5205(3) 1.29363(16) -0.2216(3) 0.0463(9) Uani 1 1 d . . . 0
H23A H 0.4770 1.3233 -0.2615 0.056 Uiso 1 1 calc R . . 0
C24 C 0.4804(3) 1.26637(15) -0.1639(3) 0.0416(8) Uani 1 1 d . . . 0
H24A H 0.4102 1.2777 -0.1633 0.050 Uiso 1 1 calc R . . 0
C25 C 0.5415(2) 1.22258(13) -0.1068(2) 0.0314(7) Uani 1 1 d . . . 0
H25A H 0.5121 1.2031 -0.0684 0.038 Uiso 1 1 calc R . . 0
C26 C 0.6177(2) 0.95181(13) -0.29839(19) 0.0248(6) Uani 1 1 d . . . 0
C27 C 0.5999(3) 0.91675(14) -0.3739(2) 0.0309(7) Uani 1 1 d . . . 0
H27A H 0.5277 0.9151 -0.4218 0.037 Uiso 1 1 calc R . . 0
C28 C 0.6867(3) 0.88441(14) -0.3793(2) 0.0360(7) Uani 1 1 d . . . 0
H28A H 0.6734 0.8598 -0.4304 0.043 Uiso 1 1 calc R . . 0
C29 C 0.7932(3) 0.88732(15) -0.3114(2) 0.0379(8) Uani 1 1 d . . . 0
H29A H 0.8529 0.8656 -0.3164 0.046 Uiso 1 1 calc R . . 0
C30 C 0.8115(3) 0.92158(17) -0.2371(3) 0.0423(8) Uani 1 1 d . . . 0
H30A H 0.8844 0.9236 -0.1901 0.051 Uiso 1 1 calc R . . 0
C31 C 0.7244(3) 0.95350(16) -0.2296(2) 0.0351(7) Uani 1 1 d . . . 0
H31A H 0.7378 0.9767 -0.1771 0.042 Uiso 1 1 calc R . . 0
C32 C 0.5315(3) 1.06858(13) -0.3336(2) 0.0279(6) Uani 1 1 d . . . 0
C33 C 0.4676(3) 1.11643(14) -0.3269(2) 0.0366(7) Uani 1 1 d . . . 0
H33A H 0.4178 1.1123 -0.2966 0.044 Uiso 1 1 calc R . . 0
C34 C 0.4772(4) 1.16981(16) -0.3646(2) 0.0473(9) Uani 1 1 d . . . 0
H34A H 0.4322 1.2020 -0.3617 0.057 Uiso 1 1 calc R . . 0
C35 C 0.5524(4) 1.17652(16) -0.4068(2) 0.0478(9) Uani 1 1 d . . . 0
H35A H 0.5601 1.2134 -0.4311 0.057 Uiso 1 1 calc R . . 0
C36 C 0.6158(3) 1.12946(16) -0.4131(2) 0.0420(8) Uani 1 1 d . . . 0
H36A H 0.6665 1.1339 -0.4425 0.050 Uiso 1 1 calc R . . 0
C37 C 0.6055(3) 1.07559(14) -0.3767(2) 0.0320(7) Uani 1 1 d . . . 0
H37A H 0.6494 1.0434 -0.3812 0.038 Uiso 1 1 calc R . . 0
C38 C 0.3782(2) 0.97322(13) -0.3715(2) 0.0254(6) Uani 1 1 d . . . 0
C39 C 0.3313(3) 0.92292(15) -0.3533(2) 0.0357(7) Uani 1 1 d . . . 0
H39A H 0.3701 0.9021 -0.2985 0.043 Uiso 1 1 calc R . . 0
C40 C 0.2282(3) 0.90237(18) -0.4141(2) 0.0446(9) Uani 1 1 d . . . 0
H40A H 0.1973 0.8675 -0.4011 0.054 Uiso 1 1 calc R . . 0
C41 C 0.1713(3) 0.93264(19) -0.4928(3) 0.0490(9) Uani 1 1 d . . . 0
H41A H 0.1003 0.9191 -0.5340 0.059 Uiso 1 1 calc R . . 0
C42 C 0.2169(3) 0.9827(2) -0.5122(3) 0.0495(10) Uani 1 1 d . . . 0
H42A H 0.1771 1.0036 -0.5668 0.059 Uiso 1 1 calc R . . 0
C43 C 0.3203(3) 1.00257(15) -0.4528(2) 0.0365(8) Uani 1 1 d . . . 0
H43A H 0.3520 1.0365 -0.4674 0.044 Uiso 1 1 calc R . . 0
C44 C 1.1600(3) 1.0148(2) -0.2722(4) 0.0601(12) Uani 1 1 d . . . 2
Cl2 Cl 1.1064(4) 1.08873(19) -0.2933(4) 0.0548(18) Uani 0.61(4) 1 d P B 1 0
Cl2A Cl 1.132(2) 1.0809(11) -0.319(2) 0.111(9) Uani 0.39(4) 1 d P B 2 0
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'
P P 0.1023 0.0942 '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'
Cl Cl 0.1484 0.1585 '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
C4 O1 C7 119.8(4) . . ?
C4 O1 C7A 110.0(6) . . ?
C7 O1 C7A 31.1(6) . . ?
P2 Cu1 S3 112.62(3) . . ?
P2 Cu1 S1 115.45(3) . . ?
S3 Cu1 S1 117.30(3) . . ?
P2 Cu1 S2 110.68(3) . . ?
S3 Cu1 S2 113.44(3) . . ?
S1 Cu1 S2 84.15(3) . . ?
P2 Cu1 Cu2 122.88(3) . . ?
S3 Cu1 Cu2 64.06(3) . . ?
S1 Cu1 Cu2 114.49(3) . . ?
S2 Cu1 Cu2 50.29(3) . . ?
P3 Cu2 S2 110.74(3) . . ?
P3 Cu2 S1 115.64(3) . 3_675 ?
S2 Cu2 S1 119.17(3) . 3_675 ?
P3 Cu2 S3 116.96(4) . . ?
S2 Cu2 S3 109.07(3) . . ?
S1 Cu2 S3 82.56(3) 3_675 . ?
P3 Cu2 Cu1 126.09(3) . . ?
S2 Cu2 Cu1 60.24(3) . . ?
S1 Cu2 Cu1 113.19(3) 3_675 . ?
S3 Cu2 Cu1 49.68(2) . . ?
C1 P1 S3 106.94(10) . 3_675 ?
C1 P1 S2 105.76(10) . . ?
S3 P1 S2 116.89(5) 3_675 . ?
C1 P1 S1 107.31(10) . . ?
S3 P1 S1 110.39(4) 3_675 . ?
S2 P1 S1 109.03(5) . . ?
C20 P2 C14 102.59(14) . . ?
C20 P2 C8 105.40(14) . . ?
C14 P2 C8 104.16(13) . . ?
C20 P2 Cu1 116.00(9) . . ?
C14 P2 Cu1 115.25(10) . . ?
C8 P2 Cu1 112.15(10) . . ?
C26 P3 C32 103.52(14) . . ?
C26 P3 C38 105.02(13) . . ?
C32 P3 C38 102.35(14) . . ?
C26 P3 Cu2 115.37(10) . . ?
C32 P3 Cu2 118.30(10) . . ?
C38 P3 Cu2 110.73(10) . . ?
P1 S1 Cu2 87.48(3) . 3_675 ?
P1 S1 Cu1 84.81(4) . . ?
Cu2 S1 Cu1 109.85(3) 3_675 . ?
P1 S2 Cu2 115.39(4) . . ?
P1 S2 Cu1 80.87(4) . . ?
Cu2 S2 Cu1 69.47(2) . . ?
P1 S3 Cu1 113.11(4) 3_675 . ?
P1 S3 Cu2 78.39(3) 3_675 . ?
Cu1 S3 Cu2 66.26(2) . . ?
C2 C1 C6 118.6(3) . . ?
C2 C1 P1 119.7(2) . . ?
C6 C1 P1 121.7(2) . . ?
C1 C2 C3 120.9(3) . . ?
C4 C3 C2 119.5(3) . . ?
C5 C4 O1 114.5(3) . . ?
C5 C4 C3 120.3(3) . . ?
O1 C4 C3 125.2(4) . . ?
C4 C5 C6 119.5(3) . . ?
C5 C6 C1 121.2(3) . . ?
C9 C8 C13 118.6(3) . . ?
C9 C8 P2 121.7(2) . . ?
C13 C8 P2 119.4(2) . . ?
C8 C9 C10 120.3(3) . . ?
C11 C10 C9 120.3(4) . . ?
C10 C11 C12 120.2(3) . . ?
C11 C12 C13 119.9(3) . . ?
C8 C13 C12 120.7(3) . . ?
C19 C14 C15 118.4(3) . . ?
C19 C14 P2 123.3(2) . . ?
C15 C14 P2 118.3(2) . . ?
C16 C15 C14 120.3(3) . . ?
C17 C16 C15 120.7(4) . . ?
C16 C17 C18 119.7(3) . . ?
C17 C18 C19 120.1(4) . . ?
C18 C19 C14 120.8(3) . . ?
C21 C20 C25 118.7(3) . . ?
C21 C20 P2 124.3(2) . . ?
C25 C20 P2 117.0(2) . . ?
C22 C21 C20 120.7(3) . . ?
C23 C22 C21 119.1(3) . . ?
C24 C23 C22 120.7(3) . . ?
C23 C24 C25 120.3(3) . . ?
C24 C25 C20 120.4(3) . . ?
C31 C26 C27 118.6(3) . . ?
C31 C26 P3 117.2(2) . . ?
C27 C26 P3 124.2(2) . . ?
C28 C27 C26 120.1(3) . . ?
C27 C28 C29 120.8(3) . . ?
C30 C29 C28 119.5(3) . . ?
C29 C30 C31 120.4(3) . . ?
C30 C31 C26 120.6(3) . . ?
C37 C32 C33 119.4(3) . . ?
C37 C32 P3 123.0(2) . . ?
C33 C32 P3 117.6(2) . . ?
C34 C33 C32 119.8(3) . . ?
C33 C34 C35 120.4(4) . . ?
C36 C35 C34 119.9(3) . . ?
C35 C36 C37 120.1(3) . . ?
C36 C37 C32 120.4(3) . . ?
C39 C38 C43 118.4(3) . . ?
C39 C38 P3 118.3(2) . . ?
C43 C38 P3 123.3(2) . . ?
C38 C39 C40 121.0(3) . . ?
C41 C40 C39 119.7(4) . . ?
C40 C41 C42 120.1(3) . . ?
C41 C42 C43 120.3(3) . . ?
C42 C43 C38 120.5(3) . . ?
Cl2A C44 Cl1 116.3(7) . . ?
Cl2A C44 Cl2 20.8(18) . . ?
Cl1 C44 Cl2 107.3(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
O1 C4 1.374(4) . ?
O1 C7 1.401(8) . ?
O1 C7A 1.556(13) . ?
Cu1 P2 2.2368(8) . ?
Cu1 S3 2.2989(9) . ?
Cu1 S1 2.3957(9) . ?
Cu1 S2 2.5585(13) . ?
Cu1 Cu2 2.7599(9) . ?
Cu2 P3 2.2258(9) . ?
Cu2 S2 2.2671(8) . ?
Cu2 S1 2.3465(9) 3_675 ?
Cu2 S3 2.7115(14) . ?
P1 C1 1.818(3) . ?
P1 S3 2.0327(10) 3_675 ?
P1 S2 2.0348(11) . ?
P1 S1 2.0449(13) . ?
P2 C20 1.822(3) . ?
P2 C14 1.827(3) . ?
P2 C8 1.827(3) . ?
P3 C26 1.820(3) . ?
P3 C32 1.824(3) . ?
P3 C38 1.834(3) . ?
S1 Cu2 2.3465(9) 3_675 ?
S3 P1 2.0326(10) 3_675 ?
Cl1 C44 1.745(4) . ?
C1 C2 1.360(4) . ?
C1 C6 1.391(4) . ?
C2 C3 1.389(5) . ?
C3 C4 1.383(6) . ?
C4 C5 1.362(5) . ?
C5 C6 1.378(4) . ?
C8 C9 1.374(4) . ?
C8 C13 1.375(4) . ?
C9 C10 1.401(5) . ?
C10 C11 1.345(6) . ?
C11 C12 1.369(5) . ?
C12 C13 1.389(5) . ?
C14 C19 1.393(5) . ?
C14 C15 1.399(5) . ?
C15 C16 1.380(5) . ?
C16 C17 1.379(6) . ?
C17 C18 1.381(6) . ?
C18 C19 1.383(5) . ?
C20 C21 1.394(4) . ?
C20 C25 1.395(4) . ?
C21 C22 1.391(5) . ?
C22 C23 1.384(5) . ?
C23 C24 1.371(6) . ?
C24 C25 1.376(5) . ?
C26 C31 1.390(4) . ?
C26 C27 1.390(4) . ?
C27 C28 1.377(4) . ?
C28 C29 1.384(5) . ?
C29 C30 1.363(5) . ?
C30 C31 1.388(5) . ?
C32 C37 1.392(4) . ?
C32 C33 1.402(5) . ?
C33 C34 1.388(5) . ?
C34 C35 1.393(6) . ?
C35 C36 1.381(6) . ?
C36 C37 1.390(5) . ?
C38 C39 1.384(4) . ?
C38 C43 1.391(4) . ?
C39 C40 1.390(5) . ?
C40 C41 1.371(5) . ?
C41 C42 1.378(6) . ?
C42 C43 1.381(5) . ?
C44 Cl2A 1.661(14) . ?
C44 Cl2 1.808(6) . ?
