[1,1'-Bis(diphenylphosphino)cobaltocenium-κ^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) hexafluoridophosphate
Guan, Jin-Tao; Zhang, Kai-Cheng; Dai, Zhi-Qun; Acta Crystallographica Section E 65 (2009) m960–; doi:10.1107/S1600536809027925

data_2222768
_publ_section_title
;[1,1'-Bis(diphenylphosphino)cobaltocenium-\k^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II)
 hexafluoridophosphate
;
_journal_coeditor_code           JH2085
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m960
_journal_paper_doi               10.1107/S1600536809027925
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Co Pt (C17 H14 P)2 Cl2] P F6'
_chemical_formula_moiety         'C34 H28 Cl2 Co P2 Pt +, F6 P1 -'
_chemical_formula_sum            'C34 H28 Cl2 Co F6 P3 Pt'
_chemical_formula_weight         968.39
_chemical_name_systematic
;
[1,1'-Bis(diphenylphosphino)cobaltocenium-
\k^2^<i>P</i>,<i>P</i>']dichloridoplatinum(II) hexafluoridophosphate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                94.97800(10)
_cell_angle_beta                 102.42300(10)
_cell_angle_gamma                114.23200(10)
_cell_formula_units_Z            2
_cell_length_a                   8.97300(10)
_cell_length_b                   10.87700(10)
_cell_length_c                   19.76700(10)
_cell_measurement_reflns_used    7129
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      2.51
_cell_volume                     1684.54(3)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT (Bruker, 2001)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXS97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Bruker SMART CCD area-detector'
_diffrn_measurement_method       '\f and \w'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0798
_diffrn_reflns_av_sigmaI/netI    0.0762
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            17964
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         1.08
_exptl_absorpt_coefficient_mu    5.000
_exptl_absorpt_correction_T_max  0.6347
_exptl_absorpt_correction_T_min  0.4346
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2004)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.909
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             940
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         1.976
_refine_diff_density_min         -1.194
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.004
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     424
_refine_ls_number_reflns         7506
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.004
_refine_ls_R_factor_all          0.0509
_refine_ls_R_factor_gt           0.0404
_refine_ls_shift/su_max          0.027
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0412P)^2^+0.1224P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0846
_refine_ls_wR_factor_ref         0.0918
_reflns_number_gt                6245
_reflns_number_total             7506
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            jh2085.cif
_cod_data_source_block           I
_cod_database_code               2222768
_cod_database_fobs_code          2222768