Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium} tetracyanidoplatinate(II) tetrahydrate
Gámez-Heredia, Raquel; Navarro, Rosa E.; Höpfl, Herbert; Cruz-Enríquez, Adriana; Campos-Gaxiola, José J.; Acta Crystallographica Section E 69 (2013) m300–m301; doi:10.1107/S1600536813011665

data_2238043
_publ_section_title
;
 Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium}
 tetracyanidoplatinate(II) tetrahydrate
;
_journal_coeditor_code           SU2593
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m300
_journal_page_last               m301
_journal_paper_doi               10.1107/S1600536813011665
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '(C18 H14 N5)2 [Pt (C N)4], 4H2 O'
_chemical_formula_moiety         '2(C18 H14 N5 +), C4 N4 Pt 2-, 4(H2 O)'
_chemical_formula_sum            'C40 H36 N14 O4 Pt'
_chemical_formula_weight         971.92
_chemical_name_systematic
;
Bis{2-[2,5-bis(pyridin-2-yl)-1<i>H</i>-imidazol-4-yl]pyridinium}
tetracyanidoplatinate(II) tetrahydrate
;
_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'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 95.483(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.958(5)
_cell_length_b                   12.048(3)
_cell_length_c                   15.403(3)
_cell_measurement_reflns_used    9440
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.71
_cell_measurement_theta_min      2.30
_cell_volume                     3871.5(15)
_computing_cell_refinement       'SAINT-Plus (Bruker 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        'SAINT-Plus (Bruker 2001)'
_computing_molecular_graphics
'ORTEP-3 for Windows (Farrugia, 2012) and Mercury (Macrae <i>et al.</i>, 2008)'
_computing_publication_material
'SHELXTL (Sheldrick, 2008) and publCIF (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker SMART CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0657
_diffrn_reflns_av_sigmaI/netI    0.0409
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            17095
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.687
_exptl_absorpt_correction_T_max  0.43
_exptl_absorpt_correction_T_min  0.26
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.667
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'rectangular prism'
_exptl_crystal_F_000             1936
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.34
_exptl_crystal_size_min          0.28
_refine_diff_density_max         3.101
_refine_diff_density_min         -2.265
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     286
_refine_ls_number_reflns         3418
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      0.998
_refine_ls_R_factor_all          0.0377
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0497P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0770
_refine_ls_wR_factor_ref         0.0782
_reflns_number_gt                2726
_reflns_number_total             3418
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            su2593.cif
_cod_data_source_block           I
_cod_original_cell_volume        3871.6(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2238043
_cod_database_fobs_code          2238043