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_7714974
_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         'C6 F6 Na4 O12 Sn4'
_chemical_formula_sum            'C6 F6 Na4 O12 Sn4'
_chemical_formula_weight         944.78
_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_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                69.581(2)
_cell_angle_beta                 81.532(2)
_cell_angle_gamma                83.003(2)
_cell_formula_units_Z            1
_cell_length_a                   6.03860(10)
_cell_length_b                   8.8061(2)
_cell_length_c                   9.1295(2)
_cell_measurement_reflns_used    4404
_cell_measurement_temperature    302.30(10)
_cell_measurement_theta_max      30.6260
_cell_measurement_theta_min      2.3830
_cell_volume                     448.710(17)
_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      302.30(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 0.786
_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    -67.00   5.00   0.50    0.05    --    4.52 -57.00  60.00  144
  2  \w    -18.00  20.00   0.50    0.05    --   -5.62  57.00   0.00   76
  3  \w     26.00  56.00   0.50    0.05    --   -5.62  57.00   0.00   60
  4  \w     -8.00  79.00   0.50    0.05    --    4.52  19.00-150.00  174
  5  \w    -24.00   6.00   0.50    0.05    --   -5.62 103.00-176.00   60
  6  \w    -20.00  28.00   0.50    0.05    --   -5.62 -99.00  30.00   96
  7  \w     -7.00  20.00   0.50    0.05    --   -5.62 -99.00 -90.00   54
  8  \w    -19.00  28.00   0.50    0.05    --   -5.62 -99.00-150.00   94
;
_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      -0.0992138000
_diffrn_orient_matrix_UB_12      -0.0137151000
_diffrn_orient_matrix_UB_13      0.0536129000
_diffrn_orient_matrix_UB_21      -0.0593061000
_diffrn_orient_matrix_UB_22      -0.0050279000
_diffrn_orient_matrix_UB_23      -0.0594897000
_diffrn_orient_matrix_UB_31      0.0287109000
_diffrn_orient_matrix_UB_32      -0.0849496000
_diffrn_orient_matrix_UB_33      0.0234041000
_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  0.0252
_diffrn_reflns_av_unetI/netI     0.0281
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.786
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            6146
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.786
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.823
_diffrn_reflns_theta_min         2.396
_diffrn_source                   'Rotating-anode X-ray tube'
_diffrn_source_type              'Rigaku (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    5.721
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.57550
_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    3.496
_exptl_crystal_description       block
_exptl_crystal_F_000             430
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.908
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.021
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     145
_refine_ls_number_reflns         2220
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.021
_refine_ls_R_factor_all          0.0226
_refine_ls_R_factor_gt           0.0202
_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^)+(0.0242P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0467
_refine_ls_wR_factor_ref         0.0483
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2019
_reflns_number_total             2220
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt04286c2.cif
_cod_data_source_block           13rly_auto
_cod_depositor_comments
'Adding full bibliography for 7714974--7714975.cif.'
_cod_database_code               7714974
_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 1.537
_oxdiff_exptl_absorpt_empirical_full_min 0.787