Structure and Fluxional Behavior of cis-Bis(stannyl)bis(phosphine)platinum: Oxidative Addition of Organodistannane to Platinum(0) Complex
Yasushi Obora; Yasushi Tsuji; Kayo Nishiyama; Masahiro Ebihara; Takashi Kawamura; Journal of the American Chemical Society 118 (1996) 10922–10923; doi:10.1021/ja9626392

data_4117204
_publ_section_title
;
 Structure and Fluxional Behavior of
 cis-Bis(stannyl)bis(phosphine)platinum: Oxidative Addition of
 Organodistannane to Platinum(0) Complex
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10922
_journal_page_last               10923
_journal_paper_doi               10.1021/ja9626392
_journal_volume                  118
_journal_year                    1996
_chemical_formula_moiety         'C48 H60 P2 Pt Sn2 '
_chemical_formula_sum            'C48 H60 P2 Pt Sn2'
_chemical_formula_weight         1131.42
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_date             'Fri Aug  2 11:07:40 1996'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 98.83(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   19.369(7)
_cell_length_b                   13.645(5)
_cell_length_c                   18.056(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    137.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      12.6
_cell_volume                     4715(3)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control'
_computing_data_collection       'Rigaku/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SHELXS86
_diffrn_ambient_temperature      137.2
_diffrn_measurement_device       'Rigaku AFC7R'
_diffrn_measurement_method       \w-2\q
_diffrn_orient_matrix_UB_11      0.04486
_diffrn_orient_matrix_UB_12      0.01487
_diffrn_orient_matrix_UB_13      0.03316
_diffrn_orient_matrix_UB_21      0.01453
_diffrn_orient_matrix_UB_22      0.04270
_diffrn_orient_matrix_UB_23      -0.04005
_diffrn_orient_matrix_UB_31      -0.02224
_diffrn_orient_matrix_UB_32      0.05770
_diffrn_orient_matrix_UB_33      0.02106
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_sigmaI/netI    0.000
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            5835
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.50
_diffrn_standards_decay_%        -0.21
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    4.096
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.727
_exptl_absorpt_correction_type   '\DF (DIFABS; Walker & Stuart, 1983)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.594
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             2224.00
_exptl_crystal_size_max          0.420
_exptl_crystal_size_mid          0.290
_exptl_crystal_size_min          0.280
_refine_diff_density_max         0.82
_refine_diff_density_min         -0.89
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   1.730
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     240
_refine_ls_number_reflns         4530
_refine_ls_number_restraints     0
_refine_ls_R_factor_obs          0.0290
_refine_ls_shift/esd_max         0.5760
_refine_ls_shift/esd_mean        0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.000009|Fo|^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.0270
_reflns_number_observed          4530
_reflns_number_total             5668
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ja9626392.cif
_cod_data_source_block           JA9626392-208_[Pt(Ptol3)2(SnMe3)2]
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.000009|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.000009|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4715(2)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C48 H60 P2 Pt Sn2 '
_cod_database_code               4117204