[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-κ^2^<i>N</i>,<i>N</i>'](α-diimine-κ^2^<i>N</i>,<i>N</i>')platinum(II) bis(hexafluorophosphate), where α-diimine is 2,2'-bipyridine and 1,10-phenanthroline
Koshiyama, Tamami; Kato, Masako; Acta Crystallographica Section C 59 (2003) m446–m449; doi:10.1107/S0108270103020869

data_2013669
_publ_section_title
;[(1<i>R</i>,2<i>R</i>)-1,2-Diaminocyclohexane-\k^2^<i>N</i>,<i>N</i>'](\a-diimine-\k^2^<i>N</i>,<i>N</i>')platinum(II)
 bis(hexafluorophosphate), where \a-diimine is 2,2'-bipyridine and
 1,10-phenanthroline
;
_journal_issue                   11
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              m446
_journal_page_last               m449
_journal_paper_doi               10.1107/S0108270103020869
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac          '[Pt (C6 H14 N2) (C12 H8 N2)] (P F6)2'
_chemical_formula_moiety         'C18 H22 N4 Pt 2+, 2F6 P 1-'
_chemical_formula_sum            'C18 H22 F12 N4 P2 Pt'
_chemical_formula_weight         779.42
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.3142(5)
_cell_length_b                   18.2738(5)
_cell_length_c                   18.4925(5)
_cell_measurement_reflns_used    9155
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2471.67(19)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku MSC/SSI, 2001)'
_computing_data_reduction
;
TEXSAN (Molecular Structure Corporation/Rigaku, 2000)
;
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_publication_material  TEXSAN
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SIR92 (Altomare, 1994)'
_diffrn_detector_area_resol_mean 7.32
_diffrn_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku/MSC Mercury CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.044
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            26208
_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.17
_exptl_absorpt_coefficient_mu    5.91
_exptl_absorpt_correction_T_max  0.7824
_exptl_absorpt_correction_T_min  0.5135
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(Higashi, 1999)'
_exptl_crystal_colour            'Pale yellow'
_exptl_crystal_density_diffrn    2.094
_exptl_crystal_density_meas      2.01(2)
_exptl_crystal_density_method    'flotation in bromoform/CCl~4~ at 303 K'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1496
_exptl_crystal_size_max          0.700
_exptl_crystal_size_mid          0.140
_exptl_crystal_size_min          0.100
_refine_diff_density_max         1.81
_refine_diff_density_min         -0.79
_refine_ls_abs_structure_details 'Flack (1983), 2413 Friedel pairs'
_refine_ls_abs_structure_Flack   0.21(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.256
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     334
_refine_ls_number_reflns         5570
_refine_ls_R_factor_gt           0.0474
_refine_ls_shift/su_max          -0.0340
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.0393P)^2^+5.6317P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1051
_reflns_number_gt                5485
_reflns_number_total             5570
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob1141.cif
_cod_data_source_block           II
_cod_original_cell_volume        2471.7(2)
_cod_original_formula_sum        'C18 H22 F12 N4 P2 Pt '
_cod_database_code               2013669
_cod_database_fobs_code          2013669