Sesquicaesium hemisodium tetracyanidoplatinate(II) sesquihydrate
Weber, Andrew P.; Stojanovic, Milorad; Pischek, Matthew R.; Sykora, Richard E.; Acta Crystallographica Section E 66 (2010) i66–; doi:10.1107/S1600536810032551

data_2228060
_publ_section_title
;
 Sesquicaesium hemisodium tetracyanidoplatinate(II) sesquihydrate
;
_journal_coeditor_code           WM2385
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i66
_journal_paper_doi               10.1107/S1600536810032551
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          'Cs1.5 Na0.5 [Pt(CN)4], 1.5H2 O'
_chemical_formula_moiety
'1.5(Cs +), 0.5(Na +), C4 N4 Pt1 2-, 1.5(H2 O)'
_chemical_formula_sum            'C8 H6 Cs3 N8 Na O3 Pt2'
_chemical_formula_weight         1074.11
_chemical_name_systematic
;
Sesquicaesium hemisodium tetracyanidoplatinate(II) sesquihydrate
;
_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   difmap
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.858(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.4090(5)
_cell_length_b                   7.21900(10)
_cell_length_c                   18.3921(5)
_cell_measurement_reflns_used    6424
_cell_measurement_temperature    290(2)
_cell_measurement_theta_max      25.622
_cell_measurement_theta_min      3.081
_cell_volume                     2043.56(11)
_computing_cell_refinement
;
<i>CrysAlis Pro</i> (Oxford Diffraction, 2010)
;
_computing_data_collection
;
<i>CrysAlis Pro</i> (Oxford Diffraction, 2010)
;
_computing_data_reduction
;
<i>CrysAlis Pro</i> (Oxford Diffraction, 2010)
;
_computing_molecular_graphics
'<i>OLEX2</i> (Dolomanov <i>et al.</i>, 2009)'
_computing_publication_material  '<i>publCIF</i> (Westrip, 2010)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      290(2)
_diffrn_detector_area_resol_mean 16.0514
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Oxford Diffraction Excalibur-E'
_diffrn_measurement_method       '\w 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  0.0186
_diffrn_reflns_av_sigmaI/netI    0.0142
_diffrn_reflns_limit_h_max       21
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8164
_diffrn_reflns_theta_full        25.68
_diffrn_reflns_theta_max         25.68
_diffrn_reflns_theta_min         3.12
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    18.988
_exptl_absorpt_correction_T_max  1.00
_exptl_absorpt_correction_T_min  0.471
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>CrysAlis Pro</i>; Oxford Diffraction, 2010)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.491
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1864
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         0.625
_refine_diff_density_min         -0.473
_refine_ls_extinction_coef       0.000819(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 2008)'
_refine_ls_goodness_of_fit_ref   1.150
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         1949
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      1.149
_refine_ls_R_factor_all          0.0161
_refine_ls_R_factor_gt           0.0140
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0147P)^2^+4.0939P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0334
_refine_ls_wR_factor_ref         0.0336
_reflns_number_gt                1789
_reflns_number_total             1949
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm2385.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2228060
_cod_database_fobs_code          2228060