Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids and bis(imidazole) ligands and their derivatives: magnetic properties and catalytic performance for the ORR.
Yang, Ming-Xing; Chen, Li-Juan; Ma, Rong; Cai, Jian-Nan; Shi, Yuan-De; Lin, Shen; Dalton transactions (Cambridge, England : 2003) 48 (2019) 13369–13377; doi:10.1039/c9dt02278c

data_7700779
_publ_section_title
;
 Three 3D Co(ii) cluster-based MOFs constructed from polycarboxylate acids
 and bis(imidazole) ligands and their derivatives: magnetic properties and
 catalytic performance for the ORR.
;
_journal_issue                   35
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              13369
_journal_page_last               13377
_journal_paper_doi               10.1039/c9dt02278c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C66 H46 Co3 N8 O13'
_chemical_formula_sum            'C66 H46 Co3 N8 O13'
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_audit_update_record
;
2019-07-14 deposited with the CCDC.    2019-08-09 downloaded from the CCDC.
;
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_cell_measurement_theta_min      2.53
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_computing_structure_solution    'SHELXL-2018/3 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'Rigaku Mercury CCD'
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_diffrn_reflns_limit_l_min       -22
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_refine_ls_number_reflns         13057
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.910
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_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     'w=1/[\s^2^(Fo^2^)] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0881
_refine_ls_wR_factor_ref         0.0934
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7430
_reflns_number_total             13057
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt02278c2.cif
_cod_data_source_block           C66H46Co3N8O13
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Multi-scan' changed to
'multi-scan' 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.

Automatic conversion script
Id: cif_fix_values 4973 2017-02-22 13:04:09Z antanas 

 Adding full bibliography for 7700779--7700781.cif.
;
_cod_database_code               7700779
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_shelx_fab_checksum              30117