Combined structural and theoretical investigation on differently substituted bispidine ligands: predicting the properties of their corresponding coordination polymers.
Lippi, Martina; Caputo, Josefina; Famulari, Antonino; Sacchetti, Alessandro; Castellano, Carlo; Meneghetti, Fiorella; Martí-Rujas, Javier; Cametti, Massimo; Dalton transactions (Cambridge, England : 2003) 49 (2020) 5965–5973; doi:10.1039/d0dt00799d

data_7704068
_publ_section_title
;
 Combined structural and theoretical investigation on differently
 substituted bispidine ligands: predicting the properties of their
 corresponding coordination polymers.
;
_journal_issue                   18
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5965
_journal_page_last               5973
_journal_paper_doi               10.1039/d0dt00799d
_journal_volume                  49
_journal_year                    2020
_chemical_formula_sum            'C30 H29 F3 N4 O5'
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_audit_update_record
;
2019-06-07 deposited with the CCDC.	2020-04-13 downloaded from the CCDC.
;
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_refine_ls_structure_factor_coef Fsqd
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'w=1/[\s^2^(Fo^2^)+(0.0510P)^2^+1.9809P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_gt                7280
_reflns_number_total             8757
_reflns_threshold_expression     'I > 2\s(I)'
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'Adding full bibliography for 7704064--7704069.cif.'
_cod_original_cell_volume        2779.0(10)
_cod_original_sg_symbol_H-M      'P 21/c'
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