Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)pentylamine-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) m922–m923; doi:10.1107/S1600536810025560

data_2226773
_publ_section_title
;
 Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)pentylamine-\k^2^<i>P</i>,<i>P</i>']platinum(II)
 bis(hexafluoridophosphate) dichloromethane disolvate
;
_journal_coeditor_code           BT5278
_journal_issue                   8
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m922
_journal_page_last               m923
_journal_paper_doi               10.1107/S1600536810025560
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Pt (C29 H31 N1 P2)2] (P F6)2, 2C H2 Cl2'
_chemical_formula_moiety         'C58 H62 N2 P4 Pt 2+, 2(F6 P -), 2(C H2 Cl2)'
_chemical_formula_sum            'C60 H66 Cl4 F12 N2 P6 Pt'
_chemical_formula_weight         1565.85
_chemical_name_systematic
;
Bis[<i>N</i>,<i>N</i>-bis(diphenylphosphanyl)pentylamine-\
\k^2^<i>P</i>,<i>P</i>']platinum(II) bis(hexafluoridophosphate) dichloromethane
disolvate
;
_space_group_IT_number           9
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 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
_cell_angle_beta                 97.669(4)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.3876(10)
_cell_length_b                   24.283(3)
_cell_length_c                   23.102(2)
_cell_measurement_reflns_used    9893
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.23
_cell_measurement_theta_min      2.82
_cell_volume                     6331.1(11)
_computing_cell_refinement       'SAINT-Plus (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2010)'
_computing_data_reduction        'SAINT-Plus (Bruker, 2004)'
_computing_molecular_graphics    'DIAMOND (Brandenburg & Putz, 2005)'
_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 4K Kappa CCD
;
_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     0.71073
_diffrn_reflns_av_R_equivalents  0.03
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -32
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            47664
_diffrn_reflns_theta_full        28
_diffrn_reflns_theta_max         28
_diffrn_reflns_theta_min         4.16
_exptl_absorpt_coefficient_mu    2.613
_exptl_absorpt_correction_T_max  0.7275
_exptl_absorpt_correction_T_min  0.5498
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(SADABS; Bruker, 2004)
;
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.643
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cuboid
_exptl_crystal_F_000             3136
_exptl_crystal_size_max          0.26
_exptl_crystal_size_mid          0.19
_exptl_crystal_size_min          0.13
_refine_diff_density_max         1.082
_refine_diff_density_min         -1.125
_refine_ls_abs_structure_details 'Flack (1983), 6561 Friedel pairs'
_refine_ls_abs_structure_Flack   0.014(2)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.887
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     767
_refine_ls_number_reflns         14210
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.887
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0235
_refine_ls_shift/su_max          0.045
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0472
_reflns_number_gt                13180
_reflns_number_total             14210
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bt5278.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C c'
_cod_database_code               2226773
_cod_database_fobs_code          2226773