Pentanuclear MII–MnII (M = Ni and Cu) complexes of N2O2 donor ligands with a variation of carboxylate anions: syntheses, structures, magnetic properties and catecholase-like activities
Ganguly, Sayantan; Bhunia, Pradip; Mayans, Júlia; Ghosh, Ashutosh; New Journal of Chemistry 46 (2022) 17260–17271; doi:10.1039/D2NJ02215J

data_7061718
_publ_section_title
;
 Pentanuclear MII--MnII (M = Ni and Cu) complexes of N2O2 donor ligands
 with a variation of carboxylate anions: syntheses, structures, magnetic
 properties and catecholase-like activities
;
_journal_issue                   36
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              17260
_journal_page_last               17271
_journal_paper_doi               10.1039/D2NJ02215J
_journal_volume                  46
_journal_year                    2022
_chemical_formula_moiety         'C92 H70 Mn3 N4 Ni2 O16'
_chemical_formula_sum            'C92 H70 Mn3 N4 Ni2 O16'
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Olex2 1.2
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2022-07-24 deposited with the CCDC.	2022-08-10 downloaded from the CCDC.
;
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'w=1/[\s^2^(Fo^2^)+(0.0514P)^2^+8.9335P] where P=(Fo^2^+2Fc^2^)/3'
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_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'EMPIRICAL' was
changed to 'empirical' 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 7061718--7061720.cif.
;
_cod_original_cell_volume        1851.9(7)
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_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C14(H14A,H14B), C13(H13A,H13B), C12(H12A,H12B)
2.b Aromatic/amide H refined with riding coordinates:
 C19(H19), C24(H24), C18(H18), C11(H11), C20(H20), C21(H21), C15(H15),
 C42(H42), C23(H23), C5(H5), C38(H38), C35(H35), C39(H39), C6(H6), C37(H37),
 C28(H28), C36(H36), C8(H8), C46(H46), C44(H44), C2(H2), C3(H3), C45(H45),
 C43(H43), C7(H7), C32(H32), C29(H29), C30(H30), C31(H31)
;
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_olex2_submission_special_instructions 'No special instructions were received'