Bis(2,9-dimethyl-1,10-phenanthrolinium) hexachloridoplatinate(IV)
Yousefi, Mohammad; Ahmadi, Roya; Amani, Vahid; Khavasi, Hamid Reza; Acta Crystallographica Section E 63 (2007) m3114–m3115; doi:10.1107/S1600536807059594

data_2216572
_publ_section_title
;
 Bis(2,9-dimethyl-1,10-phenanthrolinium) hexachloridoplatinate(IV)
;
_journal_coeditor_code           HK2386
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m3114
_journal_page_last               m3115
_journal_paper_doi               10.1107/S1600536807059594
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C14 H13 N2)2 [Pt Cl6]'
_chemical_formula_moiety         '2(C14 H13 N2), Cl6 Pt'
_chemical_formula_sum            'C28 H26 Cl6 N4 Pt'
_chemical_formula_weight         826.31
_chemical_name_systematic
;
Bis(2,9-dimethyl-1,10-phenanthrolinium) hexachloridoplatinate(IV)
;
_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           SHELXL-97
_cell_angle_alpha                78.427(9)
_cell_angle_beta                 66.464(8)
_cell_angle_gamma                79.540(9)
_cell_formula_units_Z            1
_cell_length_a                   8.9617(10)
_cell_length_b                   9.2179(10)
_cell_length_c                   9.9930(11)
_cell_measurement_reflns_used    4500
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      29.15
_cell_measurement_theta_min      2.25
_cell_volume                     736.70(15)
_computing_cell_refinement       'X-AREA (Stoe & Cie, 2005)'
_computing_data_collection       'X-AREA (Stoe & Cie, 2005)'
_computing_data_reduction        'X-RED (Stoe & Cie, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_measured_fraction_theta_full 0.969
_diffrn_measured_fraction_theta_max 0.969
_diffrn_measurement_device_type  'Stoe IPDSII diffractometer'
_diffrn_measurement_method       'rotation method'
_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  0.0730
_diffrn_reflns_av_sigmaI/netI    0.0463
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            8112
_diffrn_reflns_theta_full        29.15
_diffrn_reflns_theta_max         29.15
_diffrn_reflns_theta_min         2.25
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    5.333
_exptl_absorpt_correction_T_max  0.265
_exptl_absorpt_correction_T_min  0.195
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(shape of crystal determined optically)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.862
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             402
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.27
_exptl_crystal_size_min          0.25
_refine_diff_density_max         2.932
_refine_diff_density_min         -3.197
_refine_ls_extinction_coef       0.061(6)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.101
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     183
_refine_ls_number_reflns         3817
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.101
_refine_ls_R_factor_all          0.0367
_refine_ls_R_factor_gt           0.0367
_refine_ls_shift/su_max          0.015
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0772P)^2^+0.2717P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0996
_refine_ls_wR_factor_ref         0.0996
_reflns_number_gt                3813
_reflns_number_total             3817
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk2386.cif
_cod_data_source_block           I
_cod_original_cell_volume        736.70(14)
_cod_database_code               2216572
_cod_database_fobs_code          2216572