Tetrapyridinium di-μ-oxo-bis[trifluorotellurate(IV)] bis[pentafluorotellurate(IV)]
Klapötke, Thomas M.; Krumm, Burkhard; Mayer, Peter; Schwab, Ingo; Acta Crystallographica Section E 61 (2005) o2984–o2986; doi:10.1107/S1600536805025304

data_2206717
_publ_section_title
;
 Tetrapyridinium di-\m-oxo-bis[trifluorotellurate(IV)]
 bis[pentafluorotellurate(IV)]
;
_journal_coeditor_code           HK6029
_journal_issue                   9
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              o2984
_journal_page_last               o2986
_journal_paper_doi               10.1107/S1600536805025304
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          '2C5 H6 N +, Te F5 -, 0.5Te2 O2 F6 2-'
_chemical_formula_moiety         '2C5 H6 N +, Te F5 -, 0.5Te2 O2 F6 2-'
_chemical_formula_sum            'C10 H12 F8 N2 O Te2'
_chemical_formula_weight         583.42
_chemical_name_common
'pyridinium pentafluorotellurate hexafluoroditellurat'
_chemical_name_systematic
;
Tetrapyridinium di-\m-oxo-bis[trifluorotellurate(IV)]
bis[pentafluorotellurate(IV)]
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/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                 105.8894(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.1509(2)
_cell_length_b                   20.0739(3)
_cell_length_c                   7.99500(10)
_cell_measurement_reflns_used    35743
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      27.485
_cell_measurement_theta_min      3.134
_cell_volume                     1566.88(4)
_computing_cell_refinement       'SCALEPACK (Otwinowski & Minor, 1997)'
_computing_data_collection       'COLLECT (Nonius, 2000)'
_computing_data_reduction
'SCALEPACK and DENZO (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 1996)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      200(2)
_diffrn_detector_area_resol_mean 9
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device       '95mm CCD camera on \k-goniostat'
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'area detection'
_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  0.0733
_diffrn_reflns_av_sigmaI/netI    0.0391
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            36947
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         3.34
_exptl_absorpt_coefficient_mu    3.810
_exptl_absorpt_correction_T_max  0.6899
_exptl_absorpt_correction_T_min  0.3497
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   '(XRED32 and XSHAPE; Stoe & Cie, 1997)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.473
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1080
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.07
_refine_diff_density_max         0.998
_refine_diff_density_min         -1.103
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.080
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     208
_refine_ls_number_reflns         3586
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.080
_refine_ls_R_factor_all          0.0428
_refine_ls_R_factor_gt           0.0292
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0306P)^2^+0.4788P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0599
_refine_ls_wR_factor_ref         0.0639
_reflns_number_gt                2948
_reflns_number_total             3586
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            hk6029.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2206717
_cod_database_fobs_code          2206717