Portraying the role of halo ligands and the auxiliary part of ligands of mononuclear manganese(iii)-Schiff base complexes in catalyzing phospho–ester bond hydrolysis
Chakraborty, Tonmoy; Dasgupta, Sanchari; Zangrando, Ennio; Das, Debasis; New Journal of Chemistry 42 (2018) 14933–; doi:10.1039/C8NJ02634C

data_7057600
_publ_section_title
;
 Portraying the role of halo ligands and the auxiliary part of ligands of
 mononuclear manganese(iii)-Schiff base complexes in catalyzing
 phospho--ester bond hydrolysis
;
_journal_issue                   18
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              14933
_journal_paper_doi               10.1039/C8NJ02634C
_journal_volume                  42
_journal_year                    2018
_chemical_formula_moiety
'C28 H38 Cl1.12 Mn N6.88 O2 S0.88, 1.12(C H4 O), C28 H38 Mn N8 O2 S2, 2(C N S)'
_chemical_formula_sum            'C58 H80.48 Cl1.12 Mn2 N16.88 O5.12 S4.88'
_chemical_formula_weight         1402.14
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
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_audit_update_record
;
2018-07-24 deposited with the CCDC.
2018-07-27 downloaded from the CCDC.
;
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'w=1/[\s^2^(Fo^2^)+(0.0410P)^2^+1.0450P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1069
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_reflns_Friedel_coverage         0.000
_reflns_number_gt                6225
_reflns_number_total             8237
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c8nj02634c2.cif
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_cod_depositor_comments
;Adding full bibliography for 7057596--7057602.cif.

The following automatic conversions were performed:

data name '_exptl_absorpt_process_detail' was replaced with
'_exptl_absorpt_process_details' as specified in the replacement file
'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
;
_cod_database_code               7057600
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_exptl_absorpt_special_details
'Bruker (2009). SADABS Bruker AXS Inc., Madison, Wisconsin, USA.'
_shelx_res_checksum              78664