Crystal structure of germanium tetrabromide, β-GeBr~4~, low temperature modification
Köhler, J.; Okudera, H.; Simon, A.; Zeitschrift für Kristallographie - New Crystal Structures 220 (2005) 524–524; doi:

data_8102926
_publ_section_title
;
Crystal structure of germanium tetrabromide, \b-GeBr~4~, low 
temperature modification 
;
_journal_issue                   4
_journal_name_full
'Zeitschrift f\"ur Kristallographie - New Crystal Structures'
_journal_page_first              524
_journal_page_last               524
_journal_volume                  220
_journal_year                    2005
_chemical_formula_sum            'Br4 Ge'
_chemical_formula_weight         392.23
_chemical_melting_point          299.15
_chemical_name_common            Germaniumtetrabromid
_chemical_name_systematic
;
 germanium tetrabromide
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 102.53(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.183(2)
_cell_length_b                   6.7790(14)
_cell_length_c                   10.292(2)
_cell_measurement_temperature    93(2)
_cell_volume                     693.5(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_diffrn_measurement_device_type  'Stoe IPDS I'
_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  0.0969
_diffrn_reflns_av_sigmaI/netI    0.0661
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            7931
_diffrn_reflns_theta_full        31.97
_diffrn_reflns_theta_max         31.97
_diffrn_reflns_theta_min         3.63
_exptl_absorpt_coefficient_mu    27.327
_exptl_crystal_colour            'transparent colorless'
_exptl_crystal_density_diffrn    3.757
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cube
_exptl_crystal_F_000             688
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.3
_refine_diff_density_max         1.684
_refine_diff_density_min         -1.318
_refine_diff_density_rms         0.327
_refine_ls_extinction_coef       0.0075(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.167
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         2199
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.167
_refine_ls_R_factor_all          0.0755
_refine_ls_R_factor_gt           0.0606
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0529P)^2^+3.7964P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1313
_refine_ls_wR_factor_ref         0.1376
_reflns_number_gt                1817
_reflns_number_total             2199
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            409857.cff
_cod_data_source_block           gebr4-tt-1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_chemical_melting_point' value '26 C' was changed to '299.15' - it
was converted from degrees Celsius(C) to Kelvins(K).

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        693.5(2)
_cod_original_sg_symbol_H-M      P12(1)/c1
_cod_database_code               8102926