#------------------------------------------------------------------------------
#$Date: 2016-03-25 13:53:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179869 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/65/7016512.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_7016512
loop_
_publ_author_name
'Ren, Zhi-Gang'
'Sun, Sha'
'Dai, Min'
'Wang, Hui-Fang'
'Lü, Chun-Ning'
'Lang, Jian-Ping'
'Sun, Zhen-Rong'
_publ_section_title
;
 Assembly of bicyclic or monocyclic clusters from
 [(η(5)-C(5)Me(5))(2)Mo(2)(μ(3)-S)(4)(CuMeCN)(2)](2+) with
 tetraphosphine or N,P mixed ligands: syntheses, structures and
 enhanced third-order NLO performances.
;
_journal_issue                   33
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8391
_journal_page_last               8398
_journal_paper_doi               10.1039/c1dt10685f
_journal_volume                  40
_journal_year                    2011
_chemical_formula_moiety
'C94 H112 Cu4 Mo4 N2 P4 S8, 4(Cl O4), 2(C2 H3 N), 2(C H2 Cl2)'
_chemical_formula_sum            'C100 H122 Cl8 Cu4 Mo4 N4 O16 P4 S8'
_chemical_formula_weight         2937.90
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 121.71(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   36.180(7)
_cell_length_b                   17.208(3)
_cell_length_c                   23.247(5)
_cell_measurement_reflns_used    27418
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5243
_cell_measurement_theta_min      3.0395
_cell_volume                     12313(6)
_computing_cell_refinement       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_collection       'CrystalClear, Ver. 1.30 (Rigaku/MSC, 2001)'
_computing_data_reduction
'CrystalStructure, Ver. 3.60 (Rigaku/MSC,2004)'
_computing_molecular_graphics    'SHELXS-97 (Sheldrick, 1990)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_method       /w
_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  0.0389
_diffrn_reflns_av_sigmaI/netI    0.0686
_diffrn_reflns_limit_h_max       39
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            34960
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.04
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.490
_exptl_absorpt_correction_T_max  0.6718
_exptl_absorpt_correction_T_min  0.5170
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Jacobson, R. (1998) Private communication to Rigaku Company, Tokyo, Japan.'
_exptl_crystal_colour            dark-brown
_exptl_crystal_density_diffrn    1.585
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             5944
_exptl_crystal_size_max          0.51
_exptl_crystal_size_mid          0.37
_exptl_crystal_size_min          0.29
_refine_diff_density_max         1.340
_refine_diff_density_min         -1.127
_refine_diff_density_rms         0.117
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.192
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     649
_refine_ls_number_reflns         13875
_refine_ls_number_restraints     5
_refine_ls_restrained_S_all      1.194
_refine_ls_R_factor_all          0.0960
_refine_ls_R_factor_gt           0.0818
_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)+(0.1250P)²+19.8642P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2309
_refine_ls_wR_factor_ref         0.2446
_reflns_number_gt                11549
_reflns_number_total             13875
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c1dt10685f.txt
_cod_data_source_block           4^.^2MeCN^.^2CH~2~Cl~2~
_cod_original_cell_volume        12313(4)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               7016512
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -z'
'x+1/2, -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
Mo1 Mo 0.132131(17) 0.60076(3) 0.73226(3) 0.04750(17) Uani 1 1 d . . .
Mo2 Mo 0.159018(16) 0.74536(3) 0.70411(2) 0.04329(16) Uani 1 1 d . . .
Cu1 Cu 0.21663(2) 0.64939(5) 0.81090(4) 0.0471(2) Uani 1 1 d . . .
Cu2 Cu 0.14527(3) 0.72837(5) 0.81095(4) 0.0494(2) Uani 1 1 d . . .
S1 S 0.17090(5) 0.60187(10) 0.84591(8) 0.0509(4) Uani 1 1 d . . .
S2 S 0.20423(5) 0.78724(9) 0.80838(7) 0.0471(3) Uani 1 1 d . . .
S3 S 0.18258(5) 0.62018(10) 0.69979(8) 0.0487(4) Uani 1 1 d . . .
S4 S 0.09412(5) 0.71805(10) 0.69937(8) 0.0503(4) Uani 1 1 d . . .
P1 P 0.28816(5) 0.64153(9) 0.87707(7) 0.0424(3) Uani 1 1 d . . .
P2 P 0.36712(5) 0.69308(10) 1.12557(8) 0.0449(4) Uani 1 1 d . . .
N1 N 0.29267(16) 0.7005(3) 0.9900(2) 0.0460(11) Uani 1 1 d . . .
C1 C 0.0773(4) 0.5322(6) 0.6427(6) 0.1003(10) Uani 1 1 d . . .
C2 C 0.0652(4) 0.5381(6) 0.6891(6) 0.1003(10) Uani 1 1 d . . .
C3 C 0.0924(4) 0.4983(6) 0.7458(6) 0.1003(10) Uani 1 1 d . . .
C4 C 0.1242(4) 0.4637(6) 0.7364(6) 0.1003(10) Uani 1 1 d . . .
C5 C 0.1161(4) 0.4829(6) 0.6730(6) 0.1003(10) Uani 1 1 d . . .
C6 C 0.0520(4) 0.5612(6) 0.5714(6) 0.1003(10) Uani 1 1 d . . .
H6A H 0.0282 0.5257 0.5440 0.150 Uiso 1 1 calc R . .
H6B H 0.0709 0.5644 0.5536 0.150 Uiso 1 1 calc R . .
H6C H 0.0404 0.6123 0.5705 0.150 Uiso 1 1 calc R . .
C7 C 0.0231(3) 0.5792(6) 0.6796(6) 0.1003(10) Uani 1 1 d . . .
H7A H 0.0290 0.5982 0.7230 0.150 Uiso 1 1 calc R . .
H7B H -0.0006 0.5421 0.6616 0.150 Uiso 1 1 calc R . .
H7C H 0.0151 0.6225 0.6485 0.150 Uiso 1 1 calc R . .
C8 C 0.0898(4) 0.4848(6) 0.8080(6) 0.1003(10) Uani 1 1 d . . .
H8A H 0.0711 0.5238 0.8100 0.150 Uiso 1 1 calc R . .
H8B H 0.1186 0.4884 0.8482 0.150 Uiso 1 1 calc R . .
H8C H 0.0779 0.4335 0.8057 0.150 Uiso 1 1 calc R . .
C9 C 0.1614(4) 0.4111(6) 0.7887(6) 0.1003(10) Uani 1 1 d . . .
H9A H 0.1518 0.3574 0.7810 0.150 Uiso 1 1 calc R . .
H9B H 0.1694 0.4264 0.8340 0.150 Uiso 1 1 calc R . .
H9C H 0.1864 0.4163 0.7840 0.150 Uiso 1 1 calc R . .
C10 C 0.1385(4) 0.4518(6) 0.6385(6) 0.1003(10) Uani 1 1 d . . .
H10A H 0.1686 0.4399 0.6722 0.150 Uiso 1 1 calc R . .
H10B H 0.1376 0.4906 0.6074 0.150 Uiso 1 1 calc R . .
H10C H 0.1239 0.4050 0.6137 0.150 Uiso 1 1 calc R . .
C11 C 0.1153(2) 0.8211(4) 0.6058(3) 0.0569(16) Uani 1 1 d . . .
C12 C 0.1449(2) 0.8724(4) 0.6583(3) 0.0566(16) Uani 1 1 d . . .
C13 C 0.1879(2) 0.8539(4) 0.6758(3) 0.0553(16) Uani 1 1 d . . .
C14 C 0.1854(2) 0.7891(5) 0.6355(4) 0.0630(19) Uani 1 1 d . . .
C15 C 0.1408(3) 0.7690(5) 0.5931(3) 0.065(2) Uani 1 1 d . . .
C16 C 0.0671(3) 0.8274(6) 0.5674(4) 0.088(3) Uani 1 1 d . . .
H16A H 0.0581 0.8537 0.5950 0.132 Uiso 1 1 calc R . .
H16B H 0.0545 0.7758 0.5560 0.132 Uiso 1 1 calc R . .
H16C H 0.0574 0.8569 0.5263 0.132 Uiso 1 1 calc R . .
C17 C 0.1327(4) 0.9382(5) 0.6873(5) 0.086(3) Uani 1 1 d . . .
H17A H 0.1553 0.9455 0.7344 0.129 Uiso 1 1 calc R . .
H17B H 0.1055 0.9264 0.6841 0.129 Uiso 1 1 calc R . .
H17C H 0.1295 0.9854 0.6622 0.129 Uiso 1 1 calc R . .
C18 C 0.2281(3) 0.8978(6) 0.7236(5) 0.085(3) Uani 1 1 d . . .
H18A H 0.2360 0.9315 0.6983 0.128 Uiso 1 1 calc R . .
H18B H 0.2516 0.8616 0.7502 0.128 Uiso 1 1 calc R . .
H18C H 0.2230 0.9290 0.7535 0.128 Uiso 1 1 calc R . .
C19 C 0.2225(3) 0.7530(6) 0.6341(6) 0.095(4) Uani 1 1 d . . .
H19A H 0.2306 0.7861 0.6088 0.142 Uiso 1 1 calc R . .
H19B H 0.2138 0.7025 0.6125 0.142 Uiso 1 1 calc R . .
H19C H 0.2470 0.7471 0.6799 0.142 Uiso 1 1 calc R . .
C20 C 0.1233(4) 0.7073(6) 0.5374(4) 0.098(3) Uani 1 1 d . . .
H20A H 0.1414 0.6612 0.5542 0.146 Uiso 1 1 calc R . .
H20B H 0.1236 0.7275 0.4987 0.146 Uiso 1 1 calc R . .
H20C H 0.0937 0.6940 0.5238 0.146 Uiso 1 1 calc R . .
C21 C 0.31025(19) 0.7130(3) 0.9470(3) 0.0420(12) Uani 1 1 d . . .
H21A H 0.3420 0.7085 0.9741 0.050 Uiso 1 1 calc R . .
H21B H 0.3030 0.7657 0.9282 0.050 Uiso 1 1 calc R . .
C22 C 0.31842(18) 0.6511(4) 1.0486(3) 0.0430(12) Uani 1 1 d . . .
H22A H 0.3283 0.6066 1.0338 0.052 Uiso 1 1 calc R . .
H22B H 0.2990 0.6306 1.0625 0.052 Uiso 1 1 calc R . .
C23 C 0.2692(2) 0.7638(4) 0.9976(3) 0.0466(13) Uani 1 1 d . . .
H23A H 0.2585 0.7989 0.9588 0.056 Uiso 1 1 calc R . .
H23B H 0.2892 0.7933 1.0384 0.056 Uiso 1 1 calc R . .
C24 C 0.3097(2) 0.5501(4) 0.9209(3) 0.0465(13) Uani 1 1 d . . .
C25 C 0.2838(2) 0.5018(4) 0.9329(4) 0.0616(18) Uani 1 1 d . . .
H25 H 0.2542 0.5141 0.9136 0.074 Uiso 1 1 calc R . .
C26 C 0.3004(3) 0.4363(4) 0.9726(4) 0.069(2) Uani 1 1 d . . .
H26 H 0.2825 0.4039 0.9802 0.083 Uiso 1 1 calc R . .
C27 C 0.3443(3) 0.4189(5) 1.0013(4) 0.076(2) Uani 1 1 d . . .
H27 H 0.3561 0.3747 1.0288 0.091 Uiso 1 1 calc R . .
C28 C 0.3703(3) 0.4658(5) 0.9898(4) 0.070(2) Uani 1 1 d . . .
H28 H 0.3999 0.4533 1.0092 0.084 Uiso 1 1 calc R . .
C29 C 0.3534(2) 0.5312(4) 0.9498(3) 0.0548(16) Uani 1 1 d . . .
H29 H 0.3714 0.5631 0.9420 0.066 Uiso 1 1 calc R . .
C30 C 0.3165(2) 0.6619(4) 0.8336(3) 0.0514(15) Uani 1 1 d . . .
C31 C 0.3511(3) 0.7146(5) 0.8576(4) 0.0642(19) Uani 1 1 d . . .
H31 H 0.3608 0.7413 0.8984 0.077 Uiso 1 1 calc R . .
C32 C 0.3710(3) 0.7273(5) 0.8215(5) 0.078(2) Uani 1 1 d . . .
H32 H 0.3942 0.7627 0.8382 0.093 Uiso 1 1 calc R . .
C33 C 0.3574(3) 0.6893(5) 0.7614(4) 0.071(2) Uani 1 1 d . . .
H33 H 0.3713 0.6987 0.7375 0.086 Uiso 1 1 calc R . .
C34 C 0.3232(3) 0.6371(5) 0.7364(4) 0.067(2) Uani 1 1 d . . .
H34 H 0.3138 0.6108 0.6955 0.081 Uiso 1 1 calc R . .
C35 C 0.3026(2) 0.6238(4) 0.7722(3) 0.0540(15) Uani 1 1 d . . .
H35 H 0.2792 0.5888 0.7549 0.065 Uiso 1 1 calc R . .
C36 C 0.4001(2) 0.7328(5) 1.0955(3) 0.0554(16) Uani 1 1 d . . .
C37 C 0.4272(2) 0.6862(6) 1.0834(3) 0.067(2) Uani 1 1 d . . .
H37 H 0.4312 0.6335 1.0957 0.080 Uiso 1 1 calc R . .
C38 C 0.4480(3) 0.7179(9) 1.0533(5) 0.093(3) Uani 1 1 d . . .
H38 H 0.4666 0.6870 1.0462 0.112 Uiso 1 1 calc R . .
C39 C 0.4415(4) 0.7936(10) 1.0339(5) 0.108(5) Uani 1 1 d . . .
H39 H 0.4550 0.8141 1.0119 0.130 Uiso 1 1 calc R . .
C40 C 0.4160(4) 0.8402(7) 1.0458(5) 0.100(4) Uani 1 1 d . . .
H40 H 0.4121 0.8926 1.0324 0.120 Uiso 1 1 calc R . .
C41 C 0.3952(3) 0.8107(5) 1.0778(4) 0.069(2) Uani 1 1 d . . .
H41 H 0.3782 0.8433 1.0871 0.083 Uiso 1 1 calc R . .
C42 C 0.3957(2) 0.6070(4) 1.1743(3) 0.0559(17) Uani 1 1 d . . .
C43 C 0.3776(3) 0.5329(4) 1.1576(4) 0.0647(19) Uani 1 1 d . . .
H43 H 0.3492 0.5251 1.1207 0.078 Uiso 1 1 calc R . .
C44 C 0.4028(3) 0.4704(5) 1.1971(4) 0.081(2) Uani 1 1 d . . .
H44 H 0.3914 0.4198 1.1858 0.097 Uiso 1 1 calc R . .
C45 C 0.4439(4) 0.4814(7) 1.2521(5) 0.092(3) Uani 1 1 d . . .
H45 H 0.4602 0.4381 1.2773 0.111 Uiso 1 1 calc R . .
C46 C 0.4615(3) 0.5539(7) 1.2710(5) 0.086(3) Uani 1 1 d . . .
H46 H 0.4892 0.5611 1.3099 0.103 Uiso 1 1 calc R . .
C47 C 0.4372(3) 0.6179(5) 1.2307(4) 0.068(2) Uani 1 1 d . . .
H47 H 0.4491 0.6681 1.2421 0.082 Uiso 1 1 calc R . .
C48 C -0.0379(3) 0.9025(7) 0.4100(6) 0.097(3) Uani 1 1 d . . .
H48A H -0.0435 0.8968 0.4462 0.146 Uiso 1 1 calc R . .
H48B H -0.0263 0.8543 0.4043 0.146 Uiso 1 1 calc R . .
H48C H -0.0648 0.9151 0.3683 0.146 Uiso 1 1 calc R . .
C49 C -0.0064(4) 0.9651(9) 0.4267(5) 0.103(4) Uani 1 1 d . . .
N2 N 0.0199(4) 1.0188(10) 0.4445(7) 0.153(5) Uani 1 1 d . . .
Cl2 Cl -0.01463(7) 0.65978(15) 0.39077(12) 0.0826(6) Uani 1 1 d . . .
O5 O 0.0070(3) 0.7226(6) 0.4268(7) 0.192(6) Uani 1 1 d . . .
O6 O -0.0443(3) 0.6767(8) 0.3236(4) 0.155(4) Uani 1 1 d . . .
O7 O 0.0144(4) 0.6056(7) 0.3939(6) 0.170(5) Uani 1 1 d . . .
O8 O -0.0399(3) 0.6271(6) 0.4155(5) 0.137(3) Uani 1 1 d . . .
Cl1 Cl 0.22171(13) 0.4906(2) 0.56789(19) 0.1205(11) Uani 1 1 d . . .
O1 O 0.2006(5) 0.4173(9) 0.5690(11) 0.266(10) Uani 1 1 d . A .
O2 O 0.2041(18) 0.5492(14) 0.578(3) 0.20(2) Uani 0.478(11) 1 d P A 1
O3 O 0.2607(17) 0.514(4) 0.616(3) 0.34(4) Uani 0.478(11) 1 d P A 1
O4 O 0.2217(19) 0.487(3) 0.511(2) 0.24(2) Uani 0.478(11) 1 d P A 1
O2A O 0.2319(17) 0.517(3) 0.631(2) 0.208(18) Uani 0.522(11) 1 d P A 2
O3A O 0.2603(13) 0.4740(18) 0.581(3) 0.24(2) Uani 0.522(11) 1 d P A 2
O4A O 0.1859(17) 0.533(3) 0.519(3) 0.38(4) Uani 0.522(11) 1 d P A 2
C50 C 0.0584(7) 0.7533(14) 0.3286(15) 0.122(9) Uiso 0.478(11) 1 d PD A 1
H50A H 0.0467 0.7543 0.2799 0.146 Uiso 0.478(11) 1 calc PR A 1
H50B H 0.0475 0.7070 0.3396 0.146 Uiso 0.478(11) 1 calc PR A 1
Cl3 Cl 0.1159(6) 0.7558(11) 0.3755(10) 0.237(8) Uiso 0.478(11) 1 d PD A 1
Cl4 Cl 0.0452(4) 0.8379(7) 0.3552(6) 0.188(6) Uiso 0.478(11) 1 d PD A 1
C50A C 0.1360(9) 0.695(2) 0.391(2) 0.22(2) Uiso 0.522(11) 1 d PD A 2
H50C H 0.1366 0.6683 0.4285 0.265 Uiso 0.522(11) 1 calc PR A 2
H50D H 0.1346 0.6539 0.3606 0.265 Uiso 0.522(11) 1 calc PR A 2
Cl3A Cl 0.0848(10) 0.740(3) 0.346(2) 0.56(3) Uiso 0.522(11) 1 d PD A 2
Cl4A Cl 0.1875(7) 0.7347(11) 0.4257(10) 0.296(10) Uiso 0.522(11) 1 d PD A 2
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'
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'
Mo Mo -1.6832 0.6857 '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'
O O 0.0106 0.0060 '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 Mo1 C1 140.7(3) . .
S1 Mo1 S4 105.90(6) . .
C1 Mo1 S4 93.9(3) . .
S1 Mo1 S3 105.52(6) . .
C1 Mo1 S3 103.2(3) . .
S4 Mo1 S3 101.33(6) . .
S1 Mo1 C2 111.9(3) . .
C1 Mo1 C2 34.1(4) . .
S4 Mo1 C2 87.7(3) . .
S3 Mo1 C2 137.3(3) . .
S1 Mo1 C5 120.4(3) . .
C1 Mo1 C5 36.7(4) . .
S4 Mo1 C5 129.3(3) . .
S3 Mo1 C5 85.9(3) . .
C2 Mo1 C5 58.0(4) . .
S1 Mo1 C4 88.6(3) . .
C1 Mo1 C4 57.7(4) . .
S4 Mo1 C4 143.8(3) . .
S3 Mo1 C4 106.6(3) . .
C2 Mo1 C4 56.1(4) . .
C5 Mo1 C4 34.0(4) . .
S1 Mo1 C3 84.2(3) . .
C1 Mo1 C3 56.7(4) . .
S4 Mo1 C3 112.8(3) . .
S3 Mo1 C3 140.5(3) . .
C2 Mo1 C3 33.0(4) . .
C5 Mo1 C3 57.4(4) . .
C4 Mo1 C3 34.4(4) . .
S1 Mo1 Cu2 54.92(5) . .
C1 Mo1 Cu2 141.2(3) . .
S4 Mo1 Cu2 52.41(5) . .
S3 Mo1 Cu2 102.16(5) . .
C2 Mo1 Cu2 115.7(3) . .
C5 Mo1 Cu2 171.5(3) . .
C4 Mo1 Cu2 138.6(3) . .
C3 Mo1 Cu2 114.1(3) . .
S1 Mo1 Cu1 54.93(5) . .
C1 Mo1 Cu1 152.5(3) . .
S4 Mo1 Cu1 102.31(5) . .
S3 Mo1 Cu1 52.05(4) . .
C2 Mo1 Cu1 165.1(3) . .
C5 Mo1 Cu1 120.0(3) . .
C4 Mo1 Cu1 113.0(3) . .
C3 Mo1 Cu1 132.2(3) . .
Cu2 Mo1 Cu1 64.41(3) . .
S1 Mo1 Mo2 100.59(5) . .
C1 Mo1 Mo2 118.2(3) . .
S4 Mo1 Mo2 52.22(5) . .
S3 Mo1 Mo2 52.15(5) . .
C2 Mo1 Mo2 134.4(3) . .
C5 Mo1 Mo2 128.6(3) . .
C4 Mo1 Mo2 158.3(3) . .
C3 Mo1 Mo2 165.0(3) . .
Cu2 Mo1 Mo2 59.72(3) . .
Cu1 Mo1 Mo2 59.63(3) . .
S2 Mo2 S3 105.70(6) . .
S2 Mo2 C15 140.2(2) . .
S3 Mo2 C15 90.6(2) . .
S2 Mo2 S4 105.22(7) . .
S3 Mo2 S4 101.10(6) . .
C15 Mo2 S4 106.8(2) . .
S2 Mo2 C12 93.01(19) . .
S3 Mo2 C12 145.99(17) . .
C15 Mo2 C12 58.2(3) . .
S4 Mo2 C12 100.97(18) . .
S2 Mo2 C14 107.8(2) . .
S3 Mo2 C14 88.8(2) . .
C15 Mo2 C14 35.1(3) . .
S4 Mo2 C14 141.33(19) . .
C12 Mo2 C14 58.1(3) . .
S2 Mo2 C11 127.6(2) . .
S3 Mo2 C11 122.59(19) . .
C15 Mo2 C11 35.2(3) . .
S4 Mo2 C11 85.47(18) . .
C12 Mo2 C11 35.1(3) . .
C14 Mo2 C11 58.5(2) . .
S2 Mo2 C13 82.51(18) . .
S3 Mo2 C13 119.01(18) . .
C15 Mo2 C13 58.1(3) . .
S4 Mo2 C13 135.69(17) . .
C12 Mo2 C13 34.7(2) . .
C14 Mo2 C13 34.9(3) . .
C11 Mo2 C13 58.1(2) . .
S2 Mo2 Cu1 56.12(5) . .
S3 Mo2 Cu1 51.28(4) . .
C15 Mo2 Cu1 136.8(2) . .
S4 Mo2 Cu1 100.65(5) . .
C12 Mo2 Cu1 146.12(19) . .
C14 Mo2 Cu1 114.18(17) . .
C11 Mo2 Cu1 171.89(17) . .
C13 Mo2 Cu1 118.44(17) . .
S2 Mo2 Cu2 55.59(5) . .
S3 Mo2 Cu2 100.44(5) . .
C15 Mo2 Cu2 157.1(2) . .
S4 Mo2 Cu2 51.49(5) . .
C12 Mo2 Cu2 113.55(16) . .
C14 Mo2 Cu2 162.6(2) . .
C11 Mo2 Cu2 125.07(17) . .
C13 Mo2 Cu2 129.32(18) . .
Cu1 Mo2 Cu2 63.01(3) . .
S2 Mo2 Mo1 100.16(5) . .
S3 Mo2 Mo1 52.12(5) . .
C15 Mo2 Mo1 118.0(2) . .
S4 Mo2 Mo1 52.01(5) . .
C12 Mo2 Mo1 152.19(18) . .
C14 Mo2 Mo1 137.1(2) . .
C11 Mo2 Mo1 124.23(19) . .
C13 Mo2 Mo1 171.10(18) . .
Cu1 Mo2 Mo1 57.89(3) . .
Cu2 Mo2 Mo1 57.74(2) . .
P1 Cu1 S3 121.15(7) . .
P1 Cu1 S1 121.25(7) . .
S3 Cu1 S1 105.04(7) . .
P1 Cu1 S2 102.24(6) . .
S3 Cu1 S2 102.05(6) . .
S1 Cu1 S2 101.27(6) . .
P1 Cu1 Mo1 158.72(6) . .
S3 Cu1 Mo1 54.72(5) . .
S1 Cu1 Mo1 51.76(5) . .
S2 Cu1 Mo1 98.98(5) . .
P1 Cu1 Mo2 135.07(6) . .
S3 Cu1 Mo2 53.92(5) . .
S1 Cu1 Mo2 100.48(5) . .
S2 Cu1 Mo2 49.72(4) . .
Mo1 Cu1 Mo2 62.48(3) . .
P1 Cu1 Cu2 137.72(5) . .
S3 Cu1 Cu2 98.82(6) . .
S1 Cu1 Cu2 51.36(5) . .
S2 Cu1 Cu2 52.26(4) . .
Mo1 Cu1 Cu2 57.69(3) . .
Mo2 Cu1 Cu2 58.51(3) . .
P2 Cu2 S4 118.75(7) 7_567 .
P2 Cu2 S1 121.26(7) 7_567 .
S4 Cu2 S1 105.12(7) . .
P2 Cu2 S2 104.71(7) 7_567 .
S4 Cu2 S2 101.96(7) . .
S1 Cu2 S2 101.96(7) . .
P2 Cu2 Mo1 155.66(6) 7_567 .
S4 Cu2 Mo1 54.65(5) . .
S1 Cu2 Mo1 51.88(5) . .
S2 Cu2 Mo1 99.62(5) . .
P2 Cu2 Mo2 136.22(6) 7_567 .
S4 Cu2 Mo2 53.88(5) . .
S1 Cu2 Mo2 100.55(5) . .
S2 Cu2 Mo2 49.83(5) . .
Mo1 Cu2 Mo2 62.54(2) . .
P2 Cu2 Cu1 140.70(6) 7_567 .
S4 Cu2 Cu1 98.82(6) . .
S1 Cu2 Cu1 51.48(5) . .
S2 Cu2 Cu1 52.85(5) . .
Mo1 Cu2 Cu1 57.90(3) . .
Mo2 Cu2 Cu1 58.48(3) . .
Mo1 S1 Cu2 73.20(5) . .
Mo1 S1 Cu1 73.31(6) . .
Cu2 S1 Cu1 77.16(6) . .
Mo2 S2 Cu2 74.57(6) . .
Mo2 S2 Cu1 74.16(5) . .
Cu2 S2 Cu1 74.90(5) . .
Cu1 S3 Mo1 73.23(6) . .
Cu1 S3 Mo2 74.80(6) . .
Mo1 S3 Mo2 75.73(5) . .
Cu2 S4 Mo1 72.95(6) . .
Cu2 S4 Mo2 74.63(6) . .
Mo1 S4 Mo2 75.77(5) . .
C30 P1 C24 106.2(3) . .
C30 P1 C21 104.6(3) . .
C24 P1 C21 102.9(3) . .
C30 P1 Cu1 113.5(2) . .
C24 P1 Cu1 116.4(2) . .
C21 P1 Cu1 112.2(2) . .
C36 P2 C42 106.0(3) . .
C36 P2 C22 104.9(3) . .
C42 P2 C22 102.8(3) . .
C36 P2 Cu2 115.7(3) . 7_567
C42 P2 Cu2 109.2(2) . 7_567
C22 P2 Cu2 117.0(2) . 7_567
C23 N1 C22 117.1(5) . .
C23 N1 C21 117.8(5) . .
C22 N1 C21 115.7(5) . .
C2 C1 C5 106.7(12) . .
C2 C1 C6 125.9(12) . .
C5 C1 C6 126.8(11) . .
C2 C1 Mo1 74.3(7) . .
C5 C1 Mo1 73.2(6) . .
C6 C1 Mo1 124.3(7) . .
C3 C2 C1 111.3(12) . .
C3 C2 C7 121.1(12) . .
C1 C2 C7 127.4(12) . .
C3 C2 Mo1 75.9(7) . .
C1 C2 Mo1 71.6(7) . .
C7 C2 Mo1 123.8(7) . .
C2 C3 C4 107.4(12) . .
C2 C3 C8 129.2(12) . .
C4 C3 C8 123.2(12) . .
C2 C3 Mo1 71.2(7) . .
C4 C3 Mo1 72.3(7) . .
C8 C3 Mo1 125.5(7) . .
C5 C4 C3 109.3(12) . .
C5 C4 C9 126.0(11) . .
C3 C4 C9 124.7(12) . .
C5 C4 Mo1 71.6(6) . .
C3 C4 Mo1 73.3(7) . .
C9 C4 Mo1 122.6(7) . .
C4 C5 C1 105.3(11) . .
C4 C5 C10 127.6(12) . .
C1 C5 C10 126.7(11) . .
C4 C5 Mo1 74.4(6) . .
C1 C5 Mo1 70.2(6) . .
C10 C5 Mo1 125.6(7) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
H9A C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C15 C11 C12 106.9(6) . .
C15 C11 C16 127.2(8) . .
C12 C11 C16 125.6(7) . .
C15 C11 Mo2 71.2(4) . .
C12 C11 Mo2 72.3(4) . .
C16 C11 Mo2 126.5(5) . .
C13 C12 C11 108.7(6) . .
C13 C12 C17 125.2(8) . .
C11 C12 C17 126.0(7) . .
C13 C12 Mo2 73.7(4) . .
C11 C12 Mo2 72.6(4) . .
C17 C12 Mo2 122.8(5) . .
C12 C13 C14 107.8(7) . .
C12 C13 C18 126.3(8) . .
C14 C13 C18 125.8(7) . .
C12 C13 Mo2 71.6(4) . .
C14 C13 Mo2 71.6(4) . .
C18 C13 Mo2 125.9(5) . .
C15 C14 C13 107.6(6) . .
C15 C14 C19 126.0(9) . .
C13 C14 C19 126.2(9) . .
C15 C14 Mo2 71.3(4) . .
C13 C14 Mo2 73.5(4) . .
C19 C14 Mo2 124.5(5) . .
C14 C15 C11 109.0(7) . .
C14 C15 C20 124.7(8) . .
C11 C15 C20 125.9(8) . .
C14 C15 Mo2 73.6(4) . .
C11 C15 Mo2 73.6(4) . .
C20 C15 Mo2 124.3(6) . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
H19A C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
H20A C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
N1 C21 P1 111.2(4) . .
N1 C21 H21A 109.4 . .
P1 C21 H21A 109.4 . .
N1 C21 H21B 109.4 . .
P1 C21 H21B 109.4 . .
H21A C21 H21B 108.0 . .
N1 C22 P2 119.1(4) . .
N1 C22 H22A 107.5 . .
P2 C22 H22A 107.5 . .
N1 C22 H22B 107.5 . .
P2 C22 H22B 107.5 . .
H22A C22 H22B 107.0 . .
N1 C23 C23 112.8(7) . 7_567
N1 C23 H23A 109.0 . .
C23 C23 H23A 109.0 7_567 .
N1 C23 H23B 109.0 . .
C23 C23 H23B 109.0 7_567 .
H23A C23 H23B 107.8 . .
C25 C24 C29 118.6(6) . .
C25 C24 P1 119.8(5) . .
C29 C24 P1 121.2(5) . .
C26 C25 C24 121.4(7) . .
C26 C25 H25 119.3 . .
C24 C25 H25 119.3 . .
C25 C26 C27 118.8(8) . .
C25 C26 H26 120.6 . .
C27 C26 H26 120.6 . .
C28 C27 C26 120.6(7) . .
C28 C27 H27 119.7 . .
C26 C27 H27 119.7 . .
C27 C28 C29 120.2(8) . .
C27 C28 H28 119.9 . .
C29 C28 H28 119.9 . .
C28 C29 C24 120.3(7) . .
C28 C29 H29 119.8 . .
C24 C29 H29 119.8 . .
C35 C30 C31 118.3(6) . .
C35 C30 P1 118.2(5) . .
C31 C30 P1 123.4(5) . .
C32 C31 C30 120.1(7) . .
C32 C31 H31 119.9 . .
C30 C31 H31 119.9 . .
C33 C32 C31 121.3(8) . .
C33 C32 H32 119.4 . .
C31 C32 H32 119.4 . .
C32 C33 C34 119.8(7) . .
C32 C33 H33 120.1 . .
C34 C33 H33 120.1 . .
C33 C34 C35 119.6(7) . .
C33 C34 H34 120.2 . .
C35 C34 H34 120.2 . .
C34 C35 C30 120.8(7) . .
C34 C35 H35 119.6 . .
C30 C35 H35 119.6 . .
C41 C36 C37 118.9(7) . .
C41 C36 P2 118.4(6) . .
C37 C36 P2 122.4(6) . .
C38 C37 C36 120.0(10) . .
C38 C37 H37 120.0 . .
C36 C37 H37 120.0 . .
C39 C38 C37 120.2(10) . .
C39 C38 H38 119.9 . .
C37 C38 H38 119.9 . .
C40 C39 C38 121.0(9) . .
C40 C39 H39 119.5 . .
C38 C39 H39 119.5 . .
C39 C40 C41 120.5(11) . .
C39 C40 H40 119.8 . .
C41 C40 H40 119.8 . .
C36 C41 C40 119.3(9) . .
C36 C41 H41 120.3 . .
C40 C41 H41 120.3 . .
C43 C42 C47 120.1(7) . .
C43 C42 P2 122.8(6) . .
C47 C42 P2 117.0(6) . .
C42 C43 C44 118.2(8) . .
C42 C43 H43 120.9 . .
C44 C43 H43 120.9 . .
C45 C44 C43 121.4(10) . .
C45 C44 H44 119.3 . .
C43 C44 H44 119.3 . .
C46 C45 C44 121.4(9) . .
C46 C45 H45 119.3 . .
C44 C45 H45 119.3 . .
C45 C46 C47 118.4(9) . .
C45 C46 H46 120.8 . .
C47 C46 H46 120.8 . .
C42 C47 C46 120.4(9) . .
C42 C47 H47 119.8 . .
C46 C47 H47 119.8 . .
C49 C48 H48A 109.5 . .
C49 C48 H48B 109.5 . .
H48A C48 H48B 109.5 . .
C49 C48 H48C 109.5 . .
H48A C48 H48C 109.5 . .
H48B C48 H48C 109.5 . .
N2 C49 C48 175.6(13) . .
O5 Cl2 O7 109.5(8) . .
O5 Cl2 O6 112.8(8) . .
O7 Cl2 O6 108.7(7) . .
O5 Cl2 O8 110.7(8) . .
O7 Cl2 O8 110.1(8) . .
O6 Cl2 O8 104.8(6) . .
O2 Cl1 O3A 135(3) . .
O2 Cl1 O4 119(3) . .
O3A Cl1 O4 70(2) . .
O2 Cl1 O3 91(4) . .
O3A Cl1 O3 48(3) . .
O4 Cl1 O3 108(3) . .
O2 Cl1 O2A 56(2) . .
O3A Cl1 O2A 100(3) . .
O4 Cl1 O2A 159(2) . .
O3 Cl1 O2A 55(3) . .
O2 Cl1 O4A 53(2) . .
O3A Cl1 O4A 137(3) . .
O4 Cl1 O4A 73(3) . .
O3 Cl1 O4A 131(4) . .
O2A Cl1 O4A 108(3) . .
O2 Cl1 O1 111.0(17) . .
O3A Cl1 O1 108.0(16) . .
O4 Cl1 O1 104.3(17) . .
O3 Cl1 O1 125(3) . .
O2A Cl1 O1 96.4(17) . .
O4A Cl1 O1 101(3) . .
Cl4 C50 Cl3 102.3(13) . .
Cl4 C50 H50A 111.3 . .
Cl3 C50 H50A 111.3 . .
Cl4 C50 H50B 111.3 . .
Cl3 C50 H50B 111.3 . .
H50A C50 H50B 109.2 . .
Cl4A C50A Cl3A 130(3) . .
Cl4A C50A H50C 104.8 . .
Cl3A C50A H50C 104.8 . .
Cl4A C50A H50D 104.8 . .
Cl3A C50A H50D 104.8 . .
H50C C50A H50D 105.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Mo1 S1 2.2476(19) .
Mo1 C1 2.307(10) .
Mo1 S4 2.3333(18) .
Mo1 S3 2.3370(18) .
Mo1 C2 2.340(11) .
Mo1 C5 2.347(10) .
Mo1 C4 2.384(11) .
Mo1 C3 2.397(11) .
Mo1 Cu2 2.7350(11) .
Mo1 Cu1 2.7411(14) .
Mo1 Mo2 2.8697(9) .
Mo2 S2 2.2141(18) .
Mo2 S3 2.3382(18) .
Mo2 C15 2.339(6) .
Mo2 S4 2.3398(17) .
Mo2 C12 2.367(7) .
Mo2 C14 2.370(6) .
Mo2 C11 2.372(6) .
Mo2 C13 2.394(7) .
Mo2 Cu1 2.7920(13) .
Mo2 Cu2 2.7929(10) .
Cu1 P1 2.2128(19) .
Cu1 S3 2.2574(18) .
Cu1 S1 2.3420(18) .
Cu1 S2 2.4093(19) .
Cu1 Cu2 2.9185(12) .
Cu2 P2 2.2141(18) 7_567
Cu2 S4 2.267(2) .
Cu2 S1 2.3381(19) .
Cu2 S2 2.3904(19) .
P1 C30 1.812(7) .
P1 C24 1.813(6) .
P1 C21 1.851(6) .
P2 C36 1.804(7) .
P2 C42 1.820(7) .
P2 C22 1.875(6) .
P2 Cu2 2.2141(18) 7_567
N1 C23 1.447(8) .
N1 C22 1.453(7) .
N1 C21 1.457(7) .
C1 C2 1.364(16) .
C1 C5 1.465(16) .
C1 C6 1.496(15) .
C2 C3 1.345(16) .
C2 C7 1.588(16) .
C3 C4 1.412(16) .
C3 C8 1.517(15) .
C4 C5 1.383(16) .
C4 C9 1.546(16) .
C5 C10 1.508(15) .
C6 H6A 0.9700 .
C6 H6B 0.9700 .
C6 H6C 0.9700 .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 H7C 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 H8C 0.9700 .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C9 H9C 0.9700 .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C10 H10C 0.9700 .
C11 C15 1.424(10) .
C11 C12 1.428(11) .
C11 C16 1.488(10) .
C12 C13 1.422(10) .
C12 C17 1.497(11) .
C13 C14 1.428(11) .
C13 C18 1.493(11) .
C14 C15 1.420(12) .
C14 C19 1.494(11) .
C15 C20 1.532(11) .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 H17C 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 0.9700 .
C19 H19A 0.9700 .
C19 H19B 0.9700 .
C19 H19C 0.9700 .
C20 H20A 0.9700 .
C20 H20B 0.9700 .
C20 H20C 0.9700 .
C21 H21A 0.9800 .
C21 H21B 0.9800 .
C22 H22A 0.9800 .
C22 H22B 0.9800 .
C23 C23 1.530(12) 7_567
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C24 C25 1.387(10) .
C24 C29 1.392(9) .
C25 C26 1.379(10) .
C25 H25 0.9400 .
C26 C27 1.392(13) .
C26 H26 0.9400 .
C27 C28 1.370(13) .
C27 H27 0.9400 .
C28 C29 1.382(10) .
C28 H28 0.9400 .
C29 H29 0.9400 .
C30 C35 1.402(9) .
C30 C31 1.403(10) .
C31 C32 1.379(10) .
C31 H31 0.9400 .
C32 C33 1.379(12) .
C32 H32 0.9400 .
C33 C34 1.386(12) .
C33 H33 0.9400 .
C34 C35 1.397(10) .
C34 H34 0.9400 .
C35 H35 0.9400 .
C36 C41 1.386(11) .
C36 C37 1.406(10) .
C37 C38 1.380(12) .
C37 H37 0.9400 .
C38 C39 1.358(18) .
C38 H38 0.9400 .
C39 C40 1.357(18) .
C39 H39 0.9400 .
C40 C41 1.400(12) .
C40 H40 0.9400 .
C41 H41 0.9400 .
C42 C43 1.392(11) .
C42 C47 1.394(11) .
C43 C44 1.397(11) .
C43 H43 0.9400 .
C44 C45 1.370(14) .
C44 H44 0.9400 .
C45 C46 1.365(16) .
C45 H45 0.9400 .
C46 C47 1.413(12) .
C46 H46 0.9400 .
C47 H47 0.9400 .
C48 C49 1.465(18) .
C48 H48A 0.9700 .
C48 H48B 0.9700 .
C48 H48C 0.9700 .
C49 N2 1.232(18) .
Cl2 O5 1.340(9) .
Cl2 O7 1.377(9) .
Cl2 O6 1.383(9) .
Cl2 O8 1.427(9) .
Cl1 O2 1.277(19) .
Cl1 O3A 1.29(2) .
Cl1 O4 1.32(2) .
Cl1 O3 1.32(3) .
Cl1 O2A 1.38(3) .
Cl1 O4A 1.39(3) .
Cl1 O1 1.482(16) .
C50 Cl4 1.742(17) .
C50 Cl3 1.770(18) .
C50 H50A 0.9800 .
C50 H50B 0.9800 .
C50A Cl4A 1.736(19) .
C50A Cl3A 1.757(19) .
C50A H50C 0.9800 .
C50A H50D 0.9800 .
