μ-Guanidinido-bis[(terpyridine)platinum(II)] tris(hexafluorophosphate) acetonitrile solvate
Kato, Masako; Toshikawa, Asami; Kishi, Shinobu; Acta Crystallographica Section E 58 (2002) m248–m250; doi:10.1107/S1600536802007468

data_2201166
_publ_section_title
;
 \m-Guanidinido-bis[(terpyridine)platinum(II)]
 tris(hexafluorophosphate) acetonitrile solvate
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m248
_journal_page_last               m250
_journal_paper_doi               10.1107/S1600536802007468
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac
'[Pt2 (C15 H11 N3)2 (C H4 N3)] (P F6)3, 2C2 H3 N'
_chemical_formula_moiety         'C31 H26 N9 Pt2 3+, 3P F6 1-, 2C2 H3 N'
_chemical_formula_sum            'C35 H32 F18 N11 P3 Pt2'
_chemical_formula_weight         1431.78
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.87(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   17.000(5)
_cell_length_b                   20.351(4)
_cell_length_c                   13.915(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    296.2
_cell_measurement_theta_max      15.0
_cell_measurement_theta_min      14.9
_cell_volume                     4555(2)
_computing_cell_refinement       'Rigaku/AFC Diffractometer Control Software'
_computing_data_collection
;
Rigaku/AFC Diffractometer Control Software (Rigaku, 1995)
;
_computing_data_reduction
;
TEXSAN (Molecular Structure Corporation and 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_measured_fraction_theta_full 1.0
_diffrn_measured_fraction_theta_max 1.0
_diffrn_measurement_device_type  'Rigaku AFC-7R'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.038
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -2
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            6172
_diffrn_reflns_theta_full        27.50
_diffrn_reflns_theta_max         27.50
_diffrn_standards_decay_%        5.55
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    6.332
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.418
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   '(de Meulenaer & Tompa, 1965)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.087
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.600
_exptl_crystal_size_mid          0.500
_exptl_crystal_size_min          0.080
_refine_diff_density_max         2.69
_refine_diff_density_min         -3.42
_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   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     299
_refine_ls_number_reflns         3897
_refine_ls_R_factor_gt           0.0577
_refine_ls_shift/su_max          -0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^) + (0.1360P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1744
_reflns_number_gt                3897
_reflns_number_total             5243
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ob6125.cif
_cod_data_source_block           I
_cod_original_cell_volume        4555.0(10)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2201166