BING-1: a tin–oxalate–sodium–fluoride framework, Na~4~Sn~4~(C~2~O~4~)~3~F~6~
Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.; Acta Crystallographica Section E 57 (2001) m111–m113; doi:10.1107/S1600536801002409

data_2200089
_publ_section_title
;
 BING-1: a tin--oxalate--sodium--fluoride framework,
 Na~4~Sn~4~(C~2~O~4~)~3~F~6~
;
_journal_issue                   3
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m111
_journal_page_last               m113
_journal_paper_doi               10.1107/S1600536801002409
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          'Na4 Sn4 (C2 O4)3 F6'
_chemical_formula_moiety
;
Na4 Sn4 (C2 O4)3 F6
;
_chemical_formula_structural     'Na4 Sn4 (C2 O4)3 F6'
_chemical_formula_sum            'C6 F6 Na4 O12 Sn4'
_chemical_formula_weight         944.78
_chemical_name_systematic
;
tin(II)oxalate tetrasodium hexafluorate
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                69.4860(10)
_cell_angle_beta                 81.5080(10)
_cell_angle_gamma                83.0170(10)
_cell_formula_units_Z            1
_cell_length_a                   6.0283(4)
_cell_length_b                   8.7916(6)
_cell_length_c                   9.1191(6)
_cell_measurement_reflns_used    4605
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      61
_cell_measurement_theta_min      4.8
_cell_volume                     446.41(5)
_computing_cell_refinement       'SAINT (Bruker, 1999)'
_computing_data_collection       'SMART (Bruker, 1999)'
_computing_data_reduction        SAINT
_computing_molecular_graphics
'ORTEP-3 (Farrugia, 1997) and ATOMS (Dowty, 1999)'
_computing_publication_material  SHELXL97
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full .981
_diffrn_measured_fraction_theta_max .981
_diffrn_measurement_device       'Siemens SMART CCD'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     .71073
_diffrn_reflns_av_R_equivalents  .0383
_diffrn_reflns_av_sigmaI/netI    .0392
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7096
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         2.40
_diffrn_standards_decay_%        .4
_exptl_absorpt_coefficient_mu    5.751
_exptl_absorpt_correction_T_max  .631
_exptl_absorpt_correction_T_min  .465
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.514
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             430
_exptl_crystal_size_max          .15
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .08
_refine_diff_density_max         2.072
_refine_diff_density_min         -1.476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   .986
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2686
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      .986
_refine_ls_R_factor_all          .0395
_refine_ls_R_factor_gt           .0335
_refine_ls_shift/su_max          .000
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0547P)^2^] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0869
_reflns_number_gt                2253
_reflns_number_total             2686
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6005.cif
_cod_data_source_block           I
_cod_database_code               2200089
_cod_database_fobs_code          2200089