Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~
Małuszyńska, H.; Acta Crystallographica Section C 49 (1993) 1335–1336; doi:10.1107/S0108270193000368

data_2001527
_publ_section_title
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 Structure of guanidinium hexafluorogallate, [C(NH~2~)~3~]~3~GaF~6~
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_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1335
_journal_page_last               1336
_journal_paper_doi               10.1107/S0108270193000368
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C3 H12 F6 Ga N9'
_chemical_formula_weight         363.95
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_atom_type_scat_source           SHELX76
_cell_angle_alpha                90.0
_cell_angle_beta                 90.0
_cell_angle_gamma                90.0
_cell_formula_units_Z            8
_cell_length_a                   14.0730(10)
_cell_length_b                   14.0730(10)
_cell_length_c                   14.0730(10)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    293
_cell_measurement_theta_max      26.5
_cell_measurement_theta_min      22.3
_cell_volume                     2787.1(3)
_diffrn_measurement_device       'Syntex P21'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.049
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2272
_diffrn_reflns_theta_max         58
_diffrn_standards_decay_%        .0
_diffrn_standards_interval_count 100
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    3.44
_exptl_crystal_colour            transparent
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_meas      1.74
_exptl_crystal_description       cube
_exptl_crystal_size_max          0.2
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.1
_refine_diff_density_max         0.35
_refine_diff_density_min         -0.68
_refine_ls_extinction_coef       'x = 3.1E-4'
_refine_ls_extinction_method     'F~c~^*^ = F~c~(1-xF~c~^2^/sin\q)'
_refine_ls_goodness_of_fit_obs   0.9
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     83
_refine_ls_number_reflns         525
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.06
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/(\s~F~^2^+0.0045F^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.045
_reflns_number_observed          526
_reflns_number_total             638
_reflns_observed_criterion       I>=1.96\s(I)
_cod_data_source_file            ka1015.cif
_cod_data_source_block           ka1015_structure_1_of_1
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/(\s~F~^2^+0.0045F^2^)' was
changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to 'w =
1/(\s~F~^2^+0.0045F^2^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_cell_volume        2787.10(10)
_cod_database_code               2001527