Interpolymetallic Assembly of d8-d10 Sulfide Aggregates from [Pt2(PPh3)4(μ-S)2] and Group 12 Metals
Zhaohui Li; Weiming Zheng; Huang Liu; K. F. Mok; T. S. Andy Hor; Inorganic Chemistry 42 (2003) 8481–8488; doi:10.1021/ic034884+

data_4327490
_publ_section_title
;
 Interpolymetallic Assembly of d8-d10 Sulfide Aggregates from
 [Pt2(PPh3)4(\m-S)2] and Group 12 Metals
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8481
_journal_page_last               8488
_journal_paper_doi               10.1021/ic034884+
_journal_volume                  42
_journal_year                    2003
_chemical_formula_sum            'C148 H128 Cd2 O14 P8 Pt4 S6'
_chemical_formula_weight         3575.78
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 97.383(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.4680(2)
_cell_length_b                   17.7430(2)
_cell_length_c                   23.8742(1)
_cell_measurement_temperature    293(2)
_cell_volume                     7758.19(13)
_computing_cell_refinement       'Siemens XSCANS'
_computing_data_collection       'Siemens XSCANS'
_computing_data_reduction        'Siemens SHELXTL'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.952
_diffrn_measured_fraction_theta_max 0.952
_diffrn_measurement_method       '\w 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  0.0310
_diffrn_reflns_av_sigmaI/netI    0.0402
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            48136
_diffrn_reflns_theta_full        28.37
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         1.88
_exptl_absorpt_coefficient_mu    4.080
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.462
_exptl_absorpt_correction_type   'Sadabs (Sheldrick, 1996)'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.531
_exptl_crystal_description       'Prism in capillary'
_exptl_crystal_F_000             3504
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.46
_exptl_crystal_size_min          0.22
_refine_diff_density_max         3.775
_refine_diff_density_min         -2.223
_refine_diff_density_rms         0.163
_refine_ls_extinction_coef       0.00018(5)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     801
_refine_ls_number_reflns         18505
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.065
_refine_ls_R_factor_all          0.0549
_refine_ls_R_factor_gt           0.0387
_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/[\s^2^(Fo^2^)+(0.0722P)^2^+17.5678P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1173
_refine_ls_wR_factor_ref         0.1294
_reflns_number_gt                14767
_reflns_number_total             18505
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0348842Bsi20030725_102901.cif
_cod_data_source_block           kf69
_cod_original_cell_volume        7758.18(13)
_cod_database_code               4327490