Diverse Evolution of [{Ph2P(CH2)nPPh2}Pt(μ-S)2Pt{Ph2P(CH2)nPPh2}] (n= 2, 3) Metalloligands in CH2Cl2
Rubén Mas-Ballesté; Mercè Capdevila; Paul A. Champkin; William Clegg; Robert A. Coxall; Agustí Lledós; Claire Mégret; Pilar González-Duarte; Inorganic Chemistry 41 (2002) 3218–3229; doi:10.1021/ic0107173

data_4318058
_publ_section_title
;
 Diverse Evolution of [{Ph2P(CH2)nPPh2}Pt(\m-S)2Pt{Ph2P(CH2)nPPh2}] (n= 2,
 3) Metalloligands in CH2Cl2
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3218
_journal_page_last               3229
_journal_paper_doi               10.1021/ic0107173
_journal_volume                  41
_journal_year                    2002
_chemical_formula_sum            'C57 H58 O P4 Pt2 S2'
_chemical_formula_weight         1337.21
_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                 101.470(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   22.025(8)
_cell_length_b                   14.753(5)
_cell_length_c                   16.502(5)
_cell_measurement_temperature    160(2)
_cell_volume                     5255(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      160(2)
_diffrn_measured_fraction_theta_full 0.973
_diffrn_measured_fraction_theta_max 0.879
_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  0.0758
_diffrn_reflns_av_sigmaI/netI    0.1065
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            29847
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         28.53
_diffrn_reflns_theta_min         1.67
_exptl_absorpt_coefficient_mu    5.559
_exptl_absorpt_correction_T_max  0.4027
_exptl_absorpt_correction_T_min  0.1121
_exptl_crystal_density_diffrn    1.690
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.20
_refine_diff_density_max         1.835
_refine_diff_density_min         -1.554
_refine_diff_density_rms         0.140
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.765
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     597
_refine_ls_number_reflns         11754
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.765
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0305
_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^)+(0.0118P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0524
_refine_ls_wR_factor_ref         0.0543
_reflns_number_gt                7867
_reflns_number_total             11754
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic0107173_1.cif
_cod_data_source_block           compound_1
_cod_database_code               4318058