Change in molecular shapes of the trinuclear CuII2ZnII complexes on Schiff base reduction: structural and theoretical investigations
Hazari, Alokesh; Gomila, Rosa M.; Frontera, Antonio; Drew, Michael G. B.; Ghosh, Ashutosh; CrystEngComm 23 (2021) 4848–4856; doi:10.1039/D1CE00490E

data_7242949
_publ_section_title
;
 Change in molecular shapes of the trinuclear CuII2ZnII complexes on
 Schiff base reduction: structural and theoretical investigations
;
_journal_issue                   27
_journal_name_full               CrystEngComm
_journal_page_first              4848
_journal_page_last               4856
_journal_paper_doi               10.1039/D1CE00490E
_journal_volume                  23
_journal_year                    2021
_chemical_formula_sum            'C34 H42 Cu2 N10 O5 Zn'
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_audit_update_record
;
2021-05-29 deposited with the CCDC.	2021-05-31 downloaded from the CCDC.
;
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.0479
_diffrn_reflns_Laue_measured_fraction_full 0.996
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;
 Flack x determined using 2279 quotients [(I+)-(I-)]/[(I+)+(I-)]
 (Parsons, Flack and Wagner, Acta Cryst. B69 (2013) 249-259).
;
_refine_ls_abs_structure_Flack   0.024(8)
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_refine_ls_R_factor_all          0.0533
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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^)+(0.0837P)^2^+0.5921P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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'Adding full bibliography for 7242949--7242950.cif.'
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