Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido, Oxo-Imido, Diimido, and Dihydrazido Complexes1
Jian Jun Li; Wei Li; Alan J. James; Todd Holbert; Tristan P. Sharp; Paul R. Sharp; Inorganic Chemistry 38 (1999) 1563–1572; doi:10.1021/ic981246w

data_4321887
_publ_contact_author
;
Paul R. Sharp
Department of Chemistry
University of Missouri
Columbia, MO 65211
;
_publ_contact_author_email       SharpP@missouri.edu
_publ_contact_author_fax         1-573-882-2574
_publ_contact_author_phone       1-573-882-7715
_publ_section_title
;
 Phosphine-Based Dinuclear Platinum(II) Diamido, Amido-Hydroxo, Oxo-Amido,
 Oxo-Imido, Diimido, and Dihydrazido Complexes1
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1563
_journal_page_last               1572
_journal_paper_doi               10.1021/ic981246w
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         '[(dppm-H)Pt(NHPh)]2'
_chemical_formula_sum            'C62 H54 N2 P4 Pt2'
_chemical_formula_weight         1341.13
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           33
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2n'
_symmetry_space_group_name_H-M   'P n a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   38.2725(19)
_cell_length_b                   9.2841(5)
_cell_length_c                   15.0099(7)
_cell_measurement_temperature    173(2)
_cell_volume                     5333.4(5)
_computing_cell_refinement
'Siemens SMART Software Reference Manual (1994)'
_computing_data_collection
'Siemens SMART Software Reference Manual (1994)'
_computing_data_reduction        'Siemens SAINT version 4'
_computing_molecular_graphics    'Siemens SHELXTL'
_computing_publication_material  'Siemens SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
'SHELXS-97 (Sheldrick, 1997) , RES2INS (Len Barbour, 1996)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Siemens SMART CCD'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_av_sigmaI/netI    0.0444
_diffrn_reflns_limit_h_max       49
_diffrn_reflns_limit_h_min       -48
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -9
_diffrn_reflns_number            31063
_diffrn_reflns_theta_full        27.22
_diffrn_reflns_theta_max         27.22
_diffrn_reflns_theta_min         1.06
_exptl_absorpt_coefficient_mu    5.402
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.728627
_exptl_absorpt_correction_type   'SADABS (Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.670
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             2624
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.25
_refine_diff_density_max         3.156
_refine_diff_density_min         -3.510
_refine_diff_density_rms         0.174
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.010(11)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     631
_refine_ls_number_reflns         9285
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.171
_refine_ls_R_factor_all          0.0662
_refine_ls_R_factor_gt           0.0535
_refine_ls_shift/su_max          0.090
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0282P)^2^+44.4714P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1128
_refine_ls_wR_factor_ref         0.1196
_reflns_number_gt                7930
_reflns_number_total             9285
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic981246w_3.cif
_cod_data_source_block           '[(dppm-H)Pt(NHPh)]2'
_cod_database_code               4321887