Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclohexylamine-κ^2^<i>P</i>,<i>P</i>']platinum(II) bis(hexafluoridophosphate) dichloromethane disolvate
Engelbrecht, Ilana; Visser, Hendrik G.; Roodt, Andreas; Acta Crystallographica Section E 66 (2010) m994–m995; doi:10.1107/S1600536810028795

data_2226937
_publ_section_title
;
 Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclohexylamine-\k^2^<i>P</i>,<i>P</i>']platinum(II)
 bis(hexafluoridophosphate) dichloromethane disolvate
;
_journal_coeditor_code           HY2330
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m994
_journal_page_last               m995
_journal_paper_doi               10.1107/S1600536810028795
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pt (C30 H31 N P2)2] (P F6)2, 2C H2 Cl2'
_chemical_formula_moiety
'C60 H60.52 N2 P4 Pt 2+, 2(F6 P -), 2(C H2 Cl2)'
_chemical_formula_sum            'C62 H64.52 Cl4 F12 N2 P6 Pt'
_chemical_formula_weight         1588.38
_chemical_name_systematic
;
Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)cyclohexylamine-
\k^2^<i>P</i>,<i>P</i>']platinum(II) bis(hexafluoridophosphate) dichloromethane
disolvate
;
_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           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.000
_cell_angle_beta                 123.333(5)
_cell_angle_gamma                90.000
_cell_formula_units_Z            2
_cell_length_a                   13.350(5)
_cell_length_b                   18.764(4)
_cell_length_c                   15.248(5)
_cell_measurement_reflns_used    9230
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.15
_cell_measurement_theta_min      2.84
_cell_volume                     3191.3(17)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2007)'
_computing_data_collection       'APEX2 (Bruker, 2007)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2007)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 1999)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Bruker X8 APEXII KappaCCD'
_diffrn_measurement_method       '\w and \f scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0422
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            57085
_diffrn_reflns_theta_full        28.36
_diffrn_reflns_theta_max         28.36
_diffrn_reflns_theta_min         4.21
_exptl_absorpt_coefficient_mu    2.593
_exptl_absorpt_correction_T_max  0.7128
_exptl_absorpt_correction_T_min  0.4908
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.653
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             1589
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.29
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.718
_refine_diff_density_min         -0.993
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.026
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     503
_refine_ls_number_reflns         7899
_refine_ls_number_restraints     18
_refine_ls_restrained_S_all      1.025
_refine_ls_R_factor_all          0.0383
_refine_ls_R_factor_gt           0.0271
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0297P)^2^+4.9393P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0697
_reflns_number_gt                6367
_reflns_number_total             7899
_reflns_threshold_expression     >2\s(I)
_cod_data_source_file            hy2330.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C62 H64.52 Cl4 F12 N2 P6 Pt '
_cod_database_code               2226937
_cod_database_fobs_code          2226937