{Bis[2-(diphenylphosphino)ethyl]phenylphosphine-κ^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridoplatinium(II) hexafluoridophosphate
Heston, Scott A.; Noll, Bruce C.; Helm, Monte L.; Acta Crystallographica Section E 65 (2009) m793–; doi:10.1107/S1600536809022405

data_2222323
_publ_section_title
;{Bis[2-(diphenylphosphino)ethyl]phenylphosphine-\k^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridoplatinium(II)
 hexafluoridophosphate
;
_journal_coeditor_code           HB2993
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m793
_journal_paper_doi               10.1107/S1600536809022405
_journal_volume                  65
_journal_year                    2009
_chemical_formula_iupac          '[Pt Cl (C34 H33 P3)] P F6'
_chemical_formula_moiety         'C34 H33 Cl P3 Pt +, F6 P -'
_chemical_formula_sum            'C34 H33 Cl F6 P4 Pt'
_chemical_formula_weight         910.02
_chemical_name_common            '[Pt(triphos)Cl](PF6)2'
_chemical_name_systematic
;
{Bis[2-(diphenylphosphino)ethyl]phenylphosphine-
\k^3^<i>P</i>,<i>P</i>',<i>P</i>''}chloridoplatinium(II)
hexafluoridophosphate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 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                 107.528(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.3870(11)
_cell_length_b                   19.6221(18)
_cell_length_c                   16.4439(16)
_cell_measurement_reflns_used    9957
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.45
_cell_volume                     3503.6(6)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT and XPREP (Bruker, 2008)'
_computing_molecular_graphics    'SHELXTL (Sheldrick, 2008b)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008b)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008b)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008b)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean 8.33
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_diffrn_measurement_device_type  'Bruker SMART X2S'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0248
_diffrn_reflns_av_sigmaI/netI    0.0243
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            21968
_diffrn_reflns_theta_full        25.08
_diffrn_reflns_theta_max         25.08
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    4.320
_exptl_absorpt_correction_T_max  0.65
_exptl_absorpt_correction_T_min  0.21
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 2008a)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.725
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1784
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.30
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.580
_refine_diff_density_min         -0.414
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     452
_refine_ls_number_reflns         6155
_refine_ls_number_restraints     204
_refine_ls_restrained_S_all      1.062
_refine_ls_R_factor_all          0.0284
_refine_ls_R_factor_gt           0.0202
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0227P)^2^+1.641P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0456
_refine_ls_wR_factor_ref         0.0489
_reflns_number_gt                5269
_reflns_number_total             6155
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hb2993.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2222323
_cod_database_fobs_code          2222323