BING-2: a layered tin‒oxalate potassium fluoride, KSn(C~2~O~4~)F
Salami, Tolulope O.; Zavalij, Peter Y.; Oliver, Scott R. J.; Acta Crystallographica Section E 57 (2001) i49–i51; doi:10.1107/S1600536801008959

data_2200373
_publ_section_title
;
 BING-2: a layered tin--oxalate potassium fluoride, KSn(C~2~O~4~)F
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i49
_journal_page_last               i51
_journal_paper_doi               10.1107/S1600536801008959
_journal_volume                  57
_journal_year                    2001
_chemical_formula_iupac          '[Sn (C2 O4)] K F'
_chemical_formula_structural     'Sn (C2 O4) K F'
_chemical_formula_sum            'C2 F K O4 Sn'
_chemical_formula_weight         264.81
_chemical_name_systematic
;
Tin(II) oxalate potassium fluoride
;
_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'
_cell_angle_alpha                90.00
_cell_angle_beta                 111.6000(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   8.0692(5)
_cell_length_b                   9.5398(6)
_cell_length_c                   7.7245(4)
_cell_measurement_reflns_used    4624
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      63
_cell_measurement_theta_min      5
_cell_volume                     552.86(6)
_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      273(2)
_diffrn_measured_fraction_theta_full .996
_diffrn_measured_fraction_theta_max .996
_diffrn_measurement_device       'CCD area-detector'
_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  .0394
_diffrn_reflns_av_sigmaI/netI    .0259
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            10746
_diffrn_reflns_theta_full        30.50
_diffrn_reflns_theta_max         30.50
_diffrn_reflns_theta_min         2.71
_diffrn_standards_decay_%        -.07
_exptl_absorpt_coefficient_mu    5.328
_exptl_absorpt_correction_T_max  .808
_exptl_absorpt_correction_T_min  .658
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    3.181
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             488
_exptl_crystal_size_max          .11
_exptl_crystal_size_mid          .10
_exptl_crystal_size_min          .04
_refine_diff_density_max         .753
_refine_diff_density_min         -.447
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_matrix_type           full
_refine_ls_number_parameters     82
_refine_ls_number_reflns         1685
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.059
_refine_ls_R_factor_all          .0331
_refine_ls_R_factor_gt           .0254
_refine_ls_shift/su_max          .001
_refine_ls_shift/su_mean         .000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0288P)^2^+0.1128P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         .0592
_reflns_number_gt                1443
_reflns_number_total             1685
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br6015.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2200373
_cod_database_fobs_code          2200373