Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub> and NaSnC<sub>2</sub>O<sub>4</sub>F·H<sub>2</sub>O: two tin(II) fluoride oxalates display large birefringence.
Ren, Liying; Yin, Zeqiao; Wang, Shiyi; Lin, Zhengyan; Cao, Liling; Dong, Xuehua; Huang, Ling; Zhou, Yuqiao; Gao, Daojiang; Zou, Guohong; Dalton transactions (Cambridge, England : 2003) 53 (2024) 2619–2625; doi:10.1039/d3dt04286c

data_7714975
_publ_section_title
;
 Na<sub>4</sub>Sn<sub>4</sub>(C<sub>2</sub>O<sub>4</sub>)<sub>3</sub>F<sub>6</sub>
 and NaSnC<sub>2</sub>O<sub>4</sub>F&#xb7;H<sub>2</sub>O: two tin(II)
 fluoride oxalates display large birefringence.
;
_journal_issue                   6
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2619
_journal_page_last               2625
_journal_paper_doi               10.1039/d3dt04286c
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C2 H2 F Na O5 Sn'
_chemical_formula_sum            'C2 H2 F Na O5 Sn'
_chemical_formula_weight         266.72
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   difmap
_atom_sites_solution_primary     dual
_audit_creation_date             2023-08-29
_audit_creation_method
;
Olex2 1.5
(compiled 2022.04.07 svn.rca3783a0 for OlexSys, GUI svn.r6498)
;
_audit_update_record
;
2023-11-24 deposited with the CCDC.	2024-01-11 downloaded from the CCDC.
;
_cell_angle_alpha                111.020(5)
_cell_angle_beta                 107.986(4)
_cell_angle_gamma                96.873(4)
_cell_formula_units_Z            2
_cell_length_a                   5.9880(3)
_cell_length_b                   7.2468(4)
_cell_length_c                   8.2925(4)
_cell_measurement_reflns_used    2165
_cell_measurement_temperature    299.69(10)
_cell_measurement_theta_max      29.7570
_cell_measurement_theta_min      2.8300
_cell_volume                     308.54(3)
_computing_cell_refinement       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_collection       'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_data_reduction        'CrysAlisPro 1.171.41.112a (Rigaku OD, 2021)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2014/7 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_environment      air
_diffrn_ambient_temperature      299.69(10)
_diffrn_detector                 'Hybrid Pixel Array Detector'
_diffrn_detector_area_resol_mean 10.0000
_diffrn_detector_type            HyPix
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.794
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  t~exp~   \w     \q     \k     \f   Frames
  1  \w     48.00  75.00   0.50    0.05    --    4.52  37.00   0.00   54
  2  \w    -50.00  19.00   0.50    0.05    --    4.52 -57.00-180.00  138
  3  \w    -21.00  11.00   0.50    0.05    --   -5.62 -99.00-150.00   64
  4  \w    -21.00  12.00   0.50    0.05    --   -5.62 -99.00   0.00   66
  5  \w    -78.00  -7.00   0.50    0.05    --   -5.62  -6.00  -0.00  142
  6  \w    -18.00  14.00   0.50    0.05    --   -5.62 -99.00 150.00   64
  7  \w    -19.00  67.00   0.50    0.05    --   -5.62   6.00 175.00  172
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'XtaLAB Synergy R, DW system, HyPix'
_diffrn_measurement_method       '\w scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      0.1191137000
_diffrn_orient_matrix_UB_12      0.0101528000
_diffrn_orient_matrix_UB_13      -0.0003697000
_diffrn_orient_matrix_UB_21      -0.0022345000
_diffrn_orient_matrix_UB_22      0.0940078000
_diffrn_orient_matrix_UB_23      -0.0080705000
_diffrn_orient_matrix_UB_31      0.0493678000
_diffrn_orient_matrix_UB_32      0.0533678000
_diffrn_orient_matrix_UB_33      0.0987124000
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0323
_diffrn_reflns_av_unetI/netI     0.0405
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.794
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            3829
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.794
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.530
_diffrn_reflns_theta_min         2.844
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    4.190
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.65748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.41.112a (Rigaku Oxford Diffraction, 2021)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    2.871
_exptl_crystal_description       block
_exptl_crystal_F_000             248
_refine_diff_density_max         0.898
_refine_diff_density_min         -0.915
_refine_diff_density_rms         0.148
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.984
_refine_ls_hydrogen_treatment    refall
_refine_ls_matrix_type           full
_refine_ls_number_parameters     99
_refine_ls_number_reflns         1504
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.984
_refine_ls_R_factor_all          0.0300
_refine_ls_R_factor_gt           0.0270
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0315P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0589
_refine_ls_wR_factor_ref         0.0605
_reflns_Friedel_coverage         0.000
_reflns_number_gt                1380
_reflns_number_total             1504
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt04286c2.cif
_cod_data_source_block           8rly_auto
_cod_depositor_comments
'Adding full bibliography for 7714974--7714975.cif.'
_cod_original_cell_volume        308.53(3)
_cod_database_code               7714975
_shelx_shelxl_version_number     2014/7
_olex2_refinement_description
;
;
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.660
_oxdiff_exptl_absorpt_empirical_full_min 0.621