K~3~Sn~5~Cl~3~F~10~ with a corrugated layered structure
Hocine Merazig; Fatima Setifi; Zouaoui Setifi; Peter H. Bird; George Dénès; Korzior Tam; Acta Crystallographica Section E 61 (2005) i120–i122; doi:10.1107/S1600536805016351

data_2206093
_publ_section_title
;
 K~3~Sn~5~Cl~3~F~10~ with a corrugated layered structure
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              i120
_journal_page_last               i122
_journal_paper_doi               10.1107/S1600536805016351
_journal_volume                  61
_journal_year                    2005
_chemical_formula_iupac          'K3 Sn5 Cl3 F10'
_chemical_formula_structural     'K3 Sn5 Cl3 F10'
_chemical_formula_sum            'Cl3 F10 K3 Sn5'
_chemical_formula_weight         1007.10
_chemical_name_common
;
Potassium trichloro decafluoropentastannates(II)
;
_chemical_name_systematic
;
pentapotassium trichlorodecafluoropentastannate(II)
;
_space_group_IT_number           63
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-C 2c 2'
_symmetry_space_group_name_H-M   'C m c m'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   4.3051(3)
_cell_length_b                   19.0324(15)
_cell_length_c                   20.7335(19)
_cell_measurement_reflns_used    13477
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      29.67
_cell_measurement_theta_min      1.97
_cell_volume                     1698.8(2)
_computing_cell_refinement       X-AREA
_computing_data_collection       'X-AREA (Stoe, 2005)'
_computing_data_reduction        'X-RED32 (Stoe, 2005)'
_computing_molecular_graphics
'PLATON (Spek, 2003) and CAMERON (Watkin <i>et al.</i>, 1993)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Stoe IPDS-II'
_diffrn_measurement_method       \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  0.0462
_diffrn_reflns_av_sigmaI/netI    0.0193
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            6270
_diffrn_reflns_theta_full        25.48
_diffrn_reflns_theta_max         25.48
_diffrn_reflns_theta_min         1.96
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.535
_exptl_absorpt_correction_T_max  0.359
_exptl_absorpt_correction_T_min  0.106
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(MULABS in PLATON; Spek, 2003)'
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    3.938
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1792
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.12
_refine_diff_density_max         1.309
_refine_diff_density_min         -1.066
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.207
_refine_ls_hydrogen_treatment    none
_refine_ls_matrix_type           full
_refine_ls_number_parameters     69
_refine_ls_number_reflns         927
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.207
_refine_ls_R_factor_all          0.0253
_refine_ls_R_factor_gt           0.0250
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0678P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0576
_refine_ls_wR_factor_ref         0.0578
_reflns_number_gt                919
_reflns_number_total             927
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            wm6068.cif
_cod_data_source_block           I
_cod_database_code               2206093
_cod_database_fobs_code          2206093