Metal-Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and Pd(I) Supported by a Bridging-N,P:N',P'Moiety of a Potentially Hexadentate Ligand
Nathan D. Jones; S. Jo Ling Foo; Brian O. Patrick; Brian R. James; Inorganic Chemistry 43 (2004) 4056–4063; doi:10.1021/ic040019t

data_4311158
_publ_section_title
;
 Metal-Metal Bonded Homo- and Heterobimetallic Compounds of Pt(I) and
 Pd(I) Supported by a Bridging-N,P:N',P'Moiety of a Potentially
 Hexadentate Ligand
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4056
_journal_page_last               4063
_journal_paper_doi               10.1021/ic040019t
_journal_volume                  43
_journal_year                    2004
_chemical_formula_sum            'C36 H47 Cl2 F3 N4 O3 P2 Pd Pt S2'
_chemical_formula_weight         1139.25
_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             2002-05-07
_audit_creation_method           'by teXsan v1.8'
_cell_angle_alpha                90
_cell_angle_beta                 89.228(3)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   39.621(2)
_cell_length_b                   11.7466(5)
_cell_length_c                   17.8781(8)
_cell_measurement_reflns_used    21322
_cell_measurement_temperature    173.2
_cell_measurement_theta_max      27.87
_cell_measurement_theta_min      2.06
_cell_volume                     8319.9(7)
_computing_cell_refinement       'd*TREK (MSC, 1996-1998)'
_computing_data_collection       'd*TREK (MSC, 1996-1998)'
_computing_data_reduction        'd*TREK (MSC, 1996-1998)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
DIRDIF92 PATTY (Beurskens, 1992)
;
_diffrn_ambient_temperature      173.2
_diffrn_detector_area_resol_mean 11.76
_diffrn_measured_fraction_theta_full 0.929
_diffrn_measured_fraction_theta_max 0.929
_diffrn_measurement_device_type  'Rigaku/ADSC CCD'
_diffrn_measurement_method       'area detector'
_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  0.06692
_diffrn_reflns_av_sigmaI/netI    0.110
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -45
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            38644
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_full        27.87
_diffrn_reflns_theta_max         27.87
_diffrn_reflns_theta_min         2.06
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.138
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.6513
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_meas      ?
_exptl_crystal_description       platelet
_exptl_crystal_F_000             4496.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.03
_refine_diff_density_max         1.78
_refine_diff_density_min         -1.65
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   0.930
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     489
_refine_ls_number_reflns         9250
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0607
_refine_ls_R_factor_gt           0.030
_refine_ls_shift/su_max          0.0040
_refine_ls_shift/su_mean         0.2900
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w = 1/[\s^2^(Fo^2^)]'
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0760
_refine_ls_wR_factor_ref         0.076
_reflns_number_gt                5755
_reflns_number_total             9662
_reflns_threshold_expression     I>3.00\s(I)
_cod_data_source_file            ic040019t_2.cif
_cod_data_source_block           bj371/JFPdPtE/rac-10
_cod_original_cell_volume        8320.0(6)
_cod_original_sg_symbol_H-M      'C 2/c '
_cod_original_formula_sum        'C36 H47 Cl2 F3 N4 O3 P2 Pd Pt S2 '
_cod_database_code               4311158