Bis(1,2-benzenediolato)dimethanolgermanium(IV)
Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.; Acta Crystallographica Section C 52 (1996) 31–33; doi:10.1107/S0108270195007463

data_2004391
_publ_section_title
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 Bis(1,2-benzenediolato)dimethanolgermanium(IV)
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_journal_issue                   1
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              31
_journal_page_last               33
_journal_paper_doi               10.1107/S0108270195007463
_journal_volume                  52
_journal_year                    1996
_chemical_formula_moiety         'C16 H24 Ge1 O8'
_chemical_formula_sum            'C16 H24 Ge O8'
_chemical_formula_weight         416.95
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_atom_type_scat_source           IntTabIV
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   7.5415(10)
_cell_length_b                   18.3253(24)
_cell_length_c                   13.382(3)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    298
_cell_measurement_theta_max      14.2
_cell_measurement_theta_min      9.91
_cell_volume                     1849.4(5)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \q/2\q
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1207
_diffrn_reflns_theta_max         22.45
_diffrn_standards_decay_%        4
_diffrn_standards_interval_time  120
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    1.67
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.802
_exptl_absorpt_correction_type   'empirical, \y scan'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.497
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.45
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.250
_refine_diff_density_min         -0.350
_refine_ls_extinction_coef       1.8(2)
_refine_ls_extinction_method     secondary
_refine_ls_goodness_of_fit_obs   2.36
_refine_ls_hydrogen_treatment    noref
_refine_ls_number_parameters     116
_refine_ls_number_reflns         892
_refine_ls_R_factor_obs          0.035
_refine_ls_shift/esd_max         0.003
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[\s^2^(F) + 0.0001F^2^]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_obs         0.039
_reflns_number_observed          892
_reflns_number_total             1207
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            hu1094.cif
_cod_data_source_block           hu1094a
_cod_depositor_comments
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The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '1/[\s^2^(F) + 0.0001F^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) +
0.0001F^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
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_cod_original_formula_sum        'C16 H24 Ge1 O8'
_cod_database_code               2004391