ortho-Metallated complexes of platinum(II) and diplatinum(I) containing the carbanions (2-diphenylphosphino)phenyl and (2-diphenylphosphino)-n-tolyl (n = 5, 6).
Bennett, Martin A.; Bhargava, Suresh K.; Messelhäuser, Johannes; Privér, Steven H; Welling, Lee L.; Willis, Anthony C.; Dalton transactions (Cambridge, England : 2003)  (2007) 3158–3169; doi:10.1039/b702808c

data_7005517
_publ_section_title
;
 ortho-Metallated complexes of platinum(II) and diplatinum(I)
 containing the carbanions (2-diphenylphosphino)phenyl and
 (2-diphenylphosphino)-n-tolyl (n = 5, 6).
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3158
_journal_page_last               3169
_journal_paper_doi               10.1039/b702808c
_journal_year                    2007
_chemical_compound_source        'from RMITU'
_chemical_formula_moiety         'C38 H32 P2 Pt '
_chemical_formula_sum            'C38 H32 P2 Pt'
_chemical_formula_weight         745.71
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                96.5555(8)
_cell_angle_beta                 96.9372(7)
_cell_angle_gamma                109.3427(8)
_cell_formula_units_Z            2
_cell_length_a                   8.9749(1)
_cell_length_b                   9.0823(1)
_cell_length_c                   21.0062(3)
_cell_measurement_reflns_used    57226
_cell_measurement_temperature    200.0
_cell_measurement_theta_max      30.034
_cell_measurement_theta_min      2.910
_cell_volume                     1581.92(3)
_computing_cell_refinement
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       KappaCCD
_computing_data_reduction
'Denzo and Scalepack (Otwinowski & Minor, 1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      200.0
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       ' \w scans'
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       CCD
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.06134
_diffrn_reflns_av_sigmaI/netI    0.080
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            44162
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        30.
_diffrn_reflns_theta_max         30.12
_diffrn_reflns_theta_min         2.93
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.543
_exptl_absorpt_correction_T_max  0.653
_exptl_absorpt_correction_T_min  0.300
_exptl_absorpt_correction_type   integration
_exptl_absorpt_process_details
;
Gaussian integration (Coppens, 1970)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_meas      ?
_exptl_crystal_description       'diamond-shaped plate'
_exptl_crystal_F_000             736.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.19
_refine_diff_density_min         -1.95
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.962
_refine_ls_goodness_of_fit_ref   0.961
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7951
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0415
_refine_ls_R_factor_gt           0.0306
_refine_ls_shift/su_max          0.0290
_refine_ls_shift/su_mean         0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo) + 0.00022|Fo|^2^]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0391
_refine_ls_wR_factor_ref         0.0361
_reflns_number_gt                7951
_reflns_number_total             9261
_reflns_threshold_expression     I>2.00\s(I)
_cod_data_source_file            b702808c.txt
_cod_data_source_block           1_shp2_with_numabs
_cod_original_cell_volume        1581.92(4)
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C38 H32 P2 Pt '
_cod_database_code               7005517