Bis(4-phenylpyridinium) tetrakis(nitrato-κ^2^<i>O</i>,<i>O</i>')stannate(IV)
H. Zhong; X.-R. Zeng; X.-M. Yang; Q.-Y. Luo; Acta Crystallographica Section E 63 (2007) m1567–m1567; doi:10.1107/S1600536807021174

data_2213680
_publ_section_title
;
 Bis(4-phenylpyridinium)
 tetrakis(nitrato-\k^2^<i>O</i>,<i>O</i>')stannate(IV)
;
_journal_coeditor_code           BQ2015
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1567
_journal_page_last               m1567
_journal_paper_doi               10.1107/S1600536807021174
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '(C11 H9 N)2 [Sn (N O3)4]'
_chemical_formula_moiety         '2C11 H9 N + , N4 O12 Sn 2-'
_chemical_formula_sum            'C22 H18 N6 O12 Sn'
_chemical_formula_weight         677.11
_chemical_name_systematic
;
Bis(4-phenylpyridinium) tetrakis(nitrato-\k^2^O,O')tin(IV)
;
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 118.823(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.121(5)
_cell_length_b                   7.8112(12)
_cell_length_c                   18.307(5)
_cell_measurement_reflns_used    8235
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      29.457
_cell_measurement_theta_min      2.529
_cell_volume                     2520.8(10)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Siemens, 1996)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_device_type  'Bruker APEXII area-detector'
_diffrn_measurement_method       '\f and \w'
_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  0.0144
_diffrn_reflns_av_sigmaI/netI    0.0114
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8171
_diffrn_reflns_theta_full        26.40
_diffrn_reflns_theta_max         26.40
_diffrn_reflns_theta_min         2.31
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.092
_exptl_absorpt_correction_T_max  0.8005
_exptl_absorpt_correction_T_min  0.6562
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.784
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plane
_exptl_crystal_F_000             1352
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.21
_refine_diff_density_max         0.880
_refine_diff_density_min         -0.609
_refine_ls_extinction_coef       0.0034(4)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL97 (Sheldrick, 1997)'
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     187
_refine_ls_number_reflns         2495
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0359
_refine_ls_R_factor_gt           0.0354
_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^)+(0.0667P)^2^+16.0815P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1225
_refine_ls_wR_factor_ref         0.1229
_reflns_number_gt                2450
_reflns_number_total             2495
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            bq2015.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               2213680
_cod_database_fobs_code          2213680