Crystallography Open Database

Information card for entry 7712697

Preview

Coordinates	7712697.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H27 Cu N3 O S
Calculated formula	C25 H27 Cu N3 O S
SMILES	[Cu]12(Oc3c(cc(cc3C=[N]1c1c3n2cccc3ccc1)C(C)(C)C)C(C)(C)C)N=C=S
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	6.6554 ± 0.0006 Å
b	10.5705 ± 0.0008 Å
c	17.5161 ± 0.0015 Å
α	86.302 ± 0.003°
β	89.149 ± 0.003°
γ	73.635 ± 0.003°
Cell volume	1179.88 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0543
Residual factor for significantly intense reflections	0.0443
Weighted residual factors for significantly intense reflections	0.1082
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.059
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.	7712697.cif