Methylene spacer regulated variation in molecular and crystalline architectures of cobalt(iii) complexes with reduced Schiff base ligands: a combined experimental and theoretical study.
Banerjee, Abhisek; Frontera, Antonio; Chattopadhyay, Shouvik; Dalton transactions (Cambridge, England : 2003) 48 (2019) 11433–11447; doi:10.1039/c9dt01818b

data_7700348
_publ_section_title
;
 Methylene spacer regulated variation in molecular and crystalline
 architectures of cobalt(iii) complexes with reduced Schiff base ligands:
 a combined experimental and theoretical study.
;
_journal_issue                   30
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11433
_journal_page_last               11447
_journal_paper_doi               10.1039/c9dt01818b
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C21 H32 Co N8 Na O6'
_chemical_formula_sum            'C21 H32 Co N8 Na O6'
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_audit_update_record
;
2019-06-01 deposited with the CCDC.    2019-06-25 downloaded from the CCDC.
;
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_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
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_diffrn_measurement_device_type  'BRUKER SMART APEX II'
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            Brown
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1486P)^2^+20.4494P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3286
_refine_ls_wR_factor_ref         0.3526
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3314
_reflns_number_total             5559
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt01818b2.cif
_cod_data_source_block           1
_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 7700348--7700349.cif.
;
_cod_original_cell_volume        2867.9(3)
_cod_database_code               7700348
_shelx_shelxl_version_number     2018/1
_shelx_res_checksum              56130