(BEDT-TTF)~3~[CuBr~4~]
Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.; Acta Crystallographica Section C 50 (1994) 1894–1896; doi:10.1107/S0108270194005548

data_2010318
_publ_section_title
;
 (BEDT-TTF)~3~[CuBr~4~]
;
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1894
_journal_page_last               1896
_journal_paper_doi               10.1107/S0108270194005548
_journal_volume                  50
_journal_year                    1994
_chemical_formula_sum            'C30 H24 Br4 Cu S24'
_chemical_formula_weight         1537.2
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 102.75(3)
_cell_angle_gamma                90.
_cell_formula_units_Z            2
_cell_length_a                   17.001(3)
_cell_length_b                   10.140(2)
_cell_length_c                   14.178(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      28
_cell_measurement_theta_min      8
_cell_volume                     2383.9(9)
_diffrn_measurement_device       'Nonius CAD-4'
_diffrn_measurement_method       \w-2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.01
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7866
_diffrn_reflns_theta_max         29
_diffrn_standards_decay_%        none
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.063
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.348
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    2.14
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.8
_exptl_crystal_size_mid          0.5
_exptl_crystal_size_min          0.5
_refine_diff_density_max         1.0
_refine_diff_density_min         -0.9
_refine_ls_goodness_of_fit_obs   0.97
_refine_ls_hydrogen_treatment    refxyz
_refine_ls_number_parameters     271
_refine_ls_number_reflns         3201
_refine_ls_R_factor_obs          0.034
_refine_ls_shift/esd_max         0.8
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F)+0.005F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.037
_reflns_number_observed          3201
_reflns_number_total             6331
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            mu1087.cif
_cod_data_source_block           mu1087a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F)+0.005F^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^2^(F)+0.005F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2383.9(10)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2010318