Crystallography Open Database

Information card for entry 7712696

Preview

Coordinates	7712696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H27 Cu N5 O
Calculated formula	C24 H27 Cu N5 O
SMILES	[Cu]12(Oc3c(cc(cc3C=[N]1c1c3[n]2cccc3ccc1)C(C)(C)C)C(C)(C)C)N=N#N
Title of publication	Facile synthesis of novel NNO tethered copper(II) complexes: Characterization details, theoretical studies, promising enzyme-like activities and bio-molecular interactions
Authors of publication	Mondal, Tapan Kumar; Mandal, Subrata; Naskar, Rahul; Mondal, Apurba Sau; Bera, Biswajit
Journal of publication	Dalton Transactions
Year of publication	2023
a	37.011 ± 0.003 Å
b	6.8204 ± 0.0006 Å
c	18.5941 ± 0.0016 Å
α	90°
β	96.449 ± 0.003°
γ	90°
Cell volume	4664 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.116
Residual factor for significantly intense reflections	0.069
Weighted residual factors for significantly intense reflections	0.1691
Weighted residual factors for all reflections included in the refinement	0.2
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
282127 (current)	2023-03-30	cif/ Adding structures of 7712696, 7712697, 7712698 via cif-deposit CGI script.	7712696.cif