Polymeric Alkylidene-Bridged Platinum Complex [{Pt2(μ-Cl)2{μ-C(OBu)Me}2}n]: Synthesis, Reactivity, and Quantum Chemical Calculations
Albrecht, Christian; Schwieger, Sebastian; Rüffer, Tobias; Bruhn, Clemens; Lis, Tadeusz; Steinborn, Dirk; Organometallics 26 (2007) 6000–; doi:10.1021/om7007138

data_4073893
_publ_section_title
;
 Polymeric Alkylidene-Bridged Platinum Complex
 [{Pt2(\m-Cl)2{\m-C(OBu)Me}2}n]:&#x00A0; Synthesis, Reactivity, and
 Quantum Chemical Calculations
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              6000
_journal_paper_doi               10.1021/om7007138
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C50 H56 Cl8 O2 P2 Pt2'
_chemical_formula_weight         1424.67
_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_method           SHELXL-97
_cell_angle_alpha                62.409(15)
_cell_angle_beta                 73.73(2)
_cell_angle_gamma                67.477(19)
_cell_formula_units_Z            1
_cell_length_a                   9.986(3)
_cell_length_b                   12.136(2)
_cell_length_c                   13.073(2)
_cell_measurement_temperature    200(2)
_cell_volume                     1286.8(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0622
_diffrn_reflns_av_sigmaI/netI    0.0443
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            5278
_diffrn_reflns_theta_full        24.99
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         1.77
_exptl_absorpt_coefficient_mu    5.946
_exptl_absorpt_correction_T_max  0.9972
_exptl_absorpt_correction_T_min  0.5409
_exptl_absorpt_correction_type   'empirical via psi-scans'
_exptl_crystal_density_diffrn    1.838
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             694
_refine_diff_density_max         2.234
_refine_diff_density_min         -2.049
_refine_diff_density_rms         0.186
_refine_ls_extinction_coef       0.0021(6)
_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   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     290
_refine_ls_number_reflns         4519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0511
_refine_ls_R_factor_gt           0.0420
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1187
_refine_ls_wR_factor_ref         0.1327
_reflns_number_gt                4029
_reflns_number_total             4519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om7007138-file002.cif
_cod_data_source_block           stadi723
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4073893