Redetermination of the structure of polymeric carboxyethylgermanium sesquioxide
Xie, Z.-X.; Hu, S.-Z.; Chen, Z.-H.; Li, S.-A.; Shi, W.-P.; Acta Crystallographica Section C 49 (1993) 1154–1156; doi:10.1107/S0108270192012435

data_2001617
_publ_section_title
;
 Redetermination of the structure of polymeric carboxyethylgermanium
 sesquioxide
;
_journal_issue                   6
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              1154
_journal_page_last               1156
_journal_paper_doi               10.1107/S0108270192012435
_journal_volume                  49
_journal_year                    1993
_chemical_formula_sum            'C6 H10 Ge2 O7'
_chemical_formula_weight         339.32
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_type_scat_source           'IntTabIV pp. 99, 149'
_cell_angle_alpha                90.0
_cell_angle_beta                 90.74(2)
_cell_angle_gamma                90.0
_cell_formula_units_Z            4
_cell_length_a                   9.170(2)
_cell_length_b                   4.8300(10)
_cell_length_c                   22.584(9)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    296
_cell_measurement_theta_max      16
_cell_measurement_theta_min      8
_cell_volume                     1000.2(5)
_computing_data_collection
;SDP  (B. A. Frenz &
Associates, Inc., 1982)
;
_computing_data_reduction        SDP
_computing_molecular_graphics    'ORTEPII (Johnson, 1976)'
_computing_structure_refinement  SDP
_computing_structure_solution
;
MULTAN11/82
(Main, Fiske, Hull, Lessinger, Germain, Declercq & Woolfson, 1982)
;
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       \w/2\q
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.032
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            1018
_diffrn_reflns_theta_max         25.0
_diffrn_standards_decay_%        1
_diffrn_standards_interval_time  60
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.943
_exptl_absorpt_correction_T_max  1.316
_exptl_absorpt_correction_T_min  0.653
_exptl_absorpt_correction_type
;
empirical (DIFABS; Walker & Stuart, 1983)
;
_exptl_crystal_colour            Colourless
_exptl_crystal_density_diffrn    2.253
_exptl_crystal_size_max          0.16
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         0.868
_refine_diff_density_min         -1.114
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_obs   5.542
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     93
_refine_ls_number_reflns         558
_refine_ls_R_factor_obs          0.0513
_refine_ls_shift/esd_max         0.10
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      unit
_refine_ls_wR_factor_obs         0.0606
_reflns_number_observed          558
_reflns_number_total             992
_reflns_observed_criterion       I>3\s(I)
_cod_data_source_file            as1022.cif
_cod_data_source_block           as1022_structure_1_of_1
_cod_depositor_comments
;
 Correcting space group symmetry operation list:
 1) Adding symmetry operations that are required by the '-C 2yc' space group:
    -x,-y,-z
    x+1/2,-y+1/2,z+1/2
    x+1/2,y+1/2,z
    x,-y,z+1/2

 Adding the space group number.

 Antanas Vaitkus,
 2017-07-20
;
_cod_original_cell_volume        1000.3
_cod_database_code               2001617