Efficient proton conductivity of a novel 3D open-framework vanadoborate with [V<sub>6</sub>B<sub>20</sub>] architectures.
Zhang, Le; Liu, Xinxin; Shang, Mingyu; Sun, Fuxing; Jian, Juan; Bu, Ke; Zeng, Decheng; Yuan, Hongming; Dalton transactions (Cambridge, England : 2003) 50 (2021) 3240–3246; doi:10.1039/d0dt04426a

data_7706550
_publ_section_title
;
 Efficient proton conductivity of a novel 3D open-framework vanadoborate
 with [V<sub>6</sub>B<sub>20</sub>] architectures.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3240
_journal_page_last               3246
_journal_paper_doi               10.1039/d0dt04426a
_journal_volume                  50
_journal_year                    2021
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_space_group_name_Hall           '-P 2yn'
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_audit_update_record
;
2020-11-07 deposited with the CCDC.	2021-02-02 downloaded from the CCDC.
;
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_cell_length_c                   12.4391(3)
_cell_measurement_temperature    298(2)
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_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      298(2)
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_diffrn_reflns_theta_min         2.630
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_refine_diff_density_rms         0.161
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         5113
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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^)+(0.1000P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2185
_refine_ls_wR_factor_ref         0.2280
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4457
_reflns_number_total             5113
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt04426a2.cif
_cod_data_source_block           m1
_cod_depositor_comments          'Adding full bibliography for 7706550.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_original_formula_sum        'B10 H0 N0.50 Na1.50 Ni0.50 O32.20 V3'
_cod_database_code               7706550
_shelx_shelxl_version_number     2018/3
_shelx_res_checksum              61889
_shelx_hkl_checksum              17300