Germanium(IV) chloride at 193K
Merz, Klaus; Driess, Matthias; Acta Crystallographica Section C 58 (2002) i101–i102; doi:10.1107/S0108270102010351

data_2012797
_publ_section_title
;
 Germanium(IV) chloride at 193K
;
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              i101
_journal_page_last               i102
_journal_paper_doi               10.1107/S0108270102010351
_journal_volume                  58
_journal_year                    2002
_chemical_formula_iupac          'Ge Cl4'
_chemical_formula_moiety         'Ge Cl4'
_chemical_formula_structural     'Ge Cl4'
_chemical_formula_sum            'Cl4 Ge'
_chemical_formula_weight         214.39
_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_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 103.075(6)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.690(3)
_cell_length_b                   6.451(2)
_cell_length_c                   9.774(3)
_cell_measurement_reflns_used    347
_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      21.34
_cell_measurement_theta_min      3.23
_cell_volume                     595.1(3)
_computing_cell_refinement       'SAINT (Siemens, 1996)'
_computing_data_collection       'SMART (Siemens, 1996)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  SHELXTL
_computing_structure_solution    'SHELXTL (Siemens, 1996)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.950
_diffrn_measured_fraction_theta_max 0.914
_diffrn_measurement_device_type  'Siemens CCD area-detector'
_diffrn_measurement_method       \w
_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  0.0182
_diffrn_reflns_av_sigmaI/netI    0.0390
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -7
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -3
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            1423
_diffrn_reflns_theta_full        22.50
_diffrn_reflns_theta_max         24.99
_diffrn_reflns_theta_min         3.82
_exptl_absorpt_coefficient_mu    6.783
_exptl_absorpt_correction_T_max  0.258
_exptl_absorpt_correction_T_min  0.214
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    2.393
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       cylinder
_exptl_crystal_F_000             400
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.2
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.541
_refine_diff_density_min         -0.538
_refine_ls_extinction_coef       0.0293(19)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL97
_refine_ls_goodness_of_fit_ref   1.272
_refine_ls_matrix_type           full
_refine_ls_number_parameters     47
_refine_ls_number_reflns         955
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.272
_refine_ls_R_factor_all          0.0268
_refine_ls_R_factor_gt           0.0255
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0166P)^2^+0.5556P] where P = (Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0697
_refine_ls_wR_factor_ref         0.0714
_reflns_number_gt                905
_reflns_number_total             955
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            br1378.cif
_cod_data_source_block           I
_cod_original_cell_volume        595.1(4)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'Ge Cl4'
_cod_database_code               2012797
_cod_database_fobs_code          2012797