(H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: A Facile Synthetic Method of Using Hydrofluoric Acid as Solubilizer
Mao, Fei Fei; Hu, Chun-Li; Chen, Jin; Tang, Ruling; Wu, BaoLin; Mao, Jiang-Gao; Chemical Communications  (2019) –; doi:10.1039/C9CC02774B

data_7123507
_publ_section_title
;
 (H3O)HCs2Nb(IO3)9 and SrNbO(IO3)5: A Facile Synthetic Method of Using
 Hydrofluoric Acid as Solubilizer
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C9CC02774B
_journal_year                    2019
_chemical_formula_sum            'I10 Nb2 O32 Sr2'
_chemical_formula_weight         2142.06
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_space_group_name_Hall  '-P 2yn'
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2019-05-17 deposited with the CCDC.    2019-05-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.253(2)
_cell_angle_gamma                90
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_cell_measurement_theta_max      76.2060
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_computing_cell_refinement       'CrysAlisPro, Agilent Technologies'
_computing_data_collection       'CrysAlisPro, Agilent Technologies'
_computing_data_reduction        'CrysAlisPro, Agilent Technologies'
_computing_molecular_graphics    'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_publication_material  'DIAMOND 3.0'
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_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'SuperNova, Dual, Cu at zero, Atlas'
_diffrn_measurement_method       '\w scans'
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_diffrn_reflns_limit_k_min       -18
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_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        67.679
_diffrn_reflns_theta_max         70.069
_diffrn_reflns_theta_min         4.857
_diffrn_source                   'fine-focus sealed X-ray tube'
_exptl_absorpt_coefficient_mu    94.295
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    4.831
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             1888
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_refine_ls_extinction_coef       0.00057(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
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_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0538
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_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0567P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1099
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2302
_reflns_number_total             2790
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9cc02774b2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
;
The following automatic conversions were performed:

'_geom_bond_publ_flag' value 'NO' changed to 'no' according to
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26 (3
times).

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 
;
_cod_database_code               7123507
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              63271