An ultra-stable hafnium phosphonate MOF platform for comparing the proton conductivity of various guest molecules/ions.
Huang, Yan; Zhou, Fan; Feng, Jianshen; Zhao, Hongxia; Qi, Chao; Ji, Jinyan; Bao, Songsong; Zheng, Tao; Chemical communications (Cambridge, England) 57 (2021) 1238–1241; doi:10.1039/d0cc07375j

data_7127696
_publ_section_title
;
 An ultra-stable hafnium phosphonate MOF platform for comparing the proton
 conductivity of various guest molecules/ions.
;
_journal_issue                   10
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1238
_journal_page_last               1241
_journal_paper_doi               10.1039/d0cc07375j
_journal_volume                  57
_journal_year                    2021
_chemical_formula_sum            'C67 H56 F18 Hf7 O24 P8'
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_audit_update_record
;
2020-10-29 deposited with the CCDC.	2020-12-21 downloaded from the CCDC.
;
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_computing_cell_refinement       'Bruker SAINT'
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_computing_publication_material  'SHELXL-2018/1 (Sheldrick, 2018)'
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_computing_structure_solution    'SHELXL-2018/1 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_limit_l_min       -26
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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^)+(0.1944P)^2^+2091.3098P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2973
_refine_ls_wR_factor_ref         0.3109
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_reflns_number_gt                3042
_reflns_number_total             3634
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0cc07375j2.cif
_cod_data_source_block           PHOS100Hf
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'MULTI-SCAN' was
changed to 'multi-scan' in accordance with the
/home/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/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 7556 2019-12-06 15:28:31Z antanas 

 Adding full bibliography for 7127696.cif.
;
_cod_original_sg_symbol_Hall     '-C 2bc 2'
_cod_original_sg_symbol_H-M      'C m c a'
_cod_database_code               7127696
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              7907
_shelx_hkl_checksum              4545
_shelx_fab_checksum              89296