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_4321886
_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         '[(Ph3P)2Pt(OH)(NHp-tol)]2(BF4)2'
_chemical_formula_sum            'C80 H71 B2 Cl2 F8 N O P4 Pt2'
_chemical_formula_weight         1820.96
_chemical_name_systematic
; 

 ? 

;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 99.010(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   16.331(5)
_cell_length_b                   23.908(5)
_cell_length_c                   19.233(6)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      15
_cell_measurement_theta_min      10
_cell_volume                     7417(4)
_computing_cell_refinement       'ENRAF NONIUS'
_computing_data_collection       'ENRAF NONIUS'
_computing_data_reduction        NRC-VAX
_computing_molecular_graphics    'RES2INS (Len Barbour, 1996)'
_computing_publication_material  'Siemens SHELXTL', 'ORTEP III'
_computing_structure_refinement
'SHELXL-97 (Sheldrick, 1997), RES2INS (Len Barbour, 1996)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      295(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  CAD4
_diffrn_measurement_method       'theta-2theta (3% stats)'
_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  0.016
_diffrn_reflns_av_sigmaI/netI    0.0793
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            10816
_diffrn_reflns_theta_full        22.97
_diffrn_reflns_theta_max         22.97
_diffrn_reflns_theta_min         1.37
_diffrn_standards_interval_time  7600
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.993
_exptl_absorpt_correction_T_max  100%
_exptl_absorpt_correction_T_min  89.9%
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            white
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             3592
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.757
_refine_diff_density_min         -0.480
_refine_diff_density_rms         0.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.999
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     960
_refine_ls_number_reflns         10292
_refine_ls_number_restraints     344
_refine_ls_restrained_S_all      1.036
_refine_ls_R_factor_all          0.0846
_refine_ls_R_factor_gt           0.0311
_refine_ls_shift/su_max          0.362
_refine_ls_shift/su_mean         0.017
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0253P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0596
_refine_ls_wR_factor_ref         0.0653
_reflns_number_gt                6476
_reflns_number_total             10292
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic981246w_2.cif
_cod_data_source_block           '[(Ph3P)2Pt(OH)(NHp-tol)]2(BF4)2'
_cod_database_code               4321886