Platinum(II) Phosphido Complexes as Metalloligands. Structural and Spectroscopic Consequences of Conversion from Terminal to Bridging Coordination
Scriban, Corina; Wicht, Denyce K.; Glueck, David S.; Zakharov, Lev N.; Golen, James A.; Rheingold, Arnold L.; Organometallics 25 (2006) 3370–; doi:10.1021/om050149p

data_4074596
_publ_section_title
;
 Platinum(II) Phosphido Complexes as Metalloligands. Structural and
 Spectroscopic Consequences of Conversion from Terminal to Bridging
 Coordination
;
_journal_issue                   14
_journal_name_full               Organometallics
_journal_page_first              3370
_journal_paper_doi               10.1021/om050149p
_journal_volume                  25
_journal_year                    2006
_chemical_formula_sum            'C51 H80 F3 O3.5 P5 Pt2 S'
_chemical_formula_weight         1383.24
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           1
_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                82.144(7)
_cell_angle_beta                 71.255(7)
_cell_angle_gamma                61.738(6)
_cell_formula_units_Z            2
_cell_length_a                   13.001(6)
_cell_length_b                   13.676(7)
_cell_length_c                   18.526(9)
_cell_measurement_temperature    100(2)
_cell_volume                     2747(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0000
_diffrn_reflns_av_sigmaI/netI    0.1169
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            17711
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.69
_exptl_absorpt_coefficient_mu    5.321
_exptl_absorpt_correction_T_max  .765
_exptl_absorpt_correction_T_min  .886
_exptl_absorpt_correction_type   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.672
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1376
_exptl_crystal_size_max          .2
_exptl_crystal_size_mid          .1
_exptl_crystal_size_min          .07
_refine_diff_density_max         2.578
_refine_diff_density_min         -3.150
_refine_diff_density_rms         0.258
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.000(9)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     682
_refine_ls_number_reflns         17742
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.0778
_refine_ls_R_factor_gt           0.0630
_refine_ls_shift/su_max          0.112
_refine_ls_shift/su_mean         0.006
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0700P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1462
_refine_ls_wR_factor_ref         0.1526
_reflns_number_gt                13889
_reflns_number_total             17742
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om050149psi20060417_114950.cif
_cod_data_source_block           glu203
_cod_original_sg_symbol_H-M      P1
_cod_original_formula_sum        'C51 H80 F3 O3.50 P5 Pt2 S'
_cod_database_code               4074596