Interrupted silicogermanate with 10-ring channels: synthesis and structure determination by combining rotation electron diffraction and powder X-ray diffraction
Wang, Yilin; Wang, Yunchen; Su, Jie; Song, Xiaowei; Wan, Wei; Yu, Jihong; Inorganic Chemistry Frontiers 4 (2017) 1654–; doi:10.1039/C7QI00309A

data_4349743
_publ_section_title
;
 Interrupted silicogermanate with 10-ring channels: synthesis and
 structure determination by combining rotation electron diffraction and
 powder X-ray diffraction
;
_journal_issue                   10
_journal_name_full               'Inorganic Chemistry Frontiers'
_journal_page_first              1654
_journal_paper_doi               10.1039/C7QI00309A
_journal_volume                  4
_journal_year                    2017
_chemical_formula_sum            'C9 H15 F Ge6.11 N O13.75 Si0.64'
_chemical_formula_weight         837.98
_space_group_IT_number           42
_space_group_name_Hall           'F -2 -2'
_space_group_name_H-M_alt        'F m 2 m'
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      42
_symmetry_space_group_name_Hall  'F -2 -2'
_symmetry_space_group_name_H-M   'F m 2 m'
_audit_update_record
;
2017-07-27 deposited with the CCDC.
2017-08-02 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   13.9117(2)
_cell_length_b                   18.2980(3)
_cell_length_c                   32.7800(6)
_cell_measurement_reflns_used    1501
_cell_measurement_temperature    100
_cell_measurement_theta_max      28
_cell_measurement_theta_min      0.6
_cell_volume                     8344.4(2)
_diffrn_ambient_temperature      100
_diffrn_measurement_device_type  synchrotron
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         synchrotron
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.459255
_exptl_absorpt_coefficient_mu    2.672
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.668
_exptl_crystal_description       powder
_pd_calc_method                  'Rietveld Refinement'
_pd_proc_ls_background_function  'Chebychev polynomial'
_pd_proc_ls_pref_orient_corr
' ?                                                                         '
_pd_proc_ls_profile_function     'Pearson VII peak type'
_pd_proc_ls_prof_R_factor        0.09023
_pd_proc_ls_prof_wR_expected     0.04201
_pd_proc_ls_prof_wR_factor       0.11868
_refine_ls_goodness_of_fit_all   2.825
_refine_ls_number_parameters     160
_refine_ls_R_I_factor            0.04481
_reflns_number_total             1501
_cod_data_source_file            c7qi00309a2.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/RSC/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_Hall     'F -2x;2y;-2z'
_cod_original_formula_sum        'C9 H15 F1 Ge6.11 N O13.75 Si0.64'
_cod_database_code               4349743