Crystallography Open Database

Information card for entry 4514483

Preview

Coordinates	4514483.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	bis(1,3-dimethyl-1H-benzo[d]imidazol-2(3H)-ylideneselanyl)copper(III) chloride
Formula	C18 H20 Cl Cu N4 Se2
Calculated formula	C18 H20 Cl Cu N4 Se2
SMILES	[Se]([Cu]([Se]=C1N(c2c(N1C)cccc2)C)Cl)=C1N(c2c(N1C)cccc2)C
Title of publication	Copper-Driven Deselenization: A Strategy for Selective Conversion of Copper Ion to Nanozyme and Its Implication for Copper-Related Disorders.
Authors of publication	Chalana, Ashish; Karri, Ramesh; Das, Ranajit; Kumar, Binayak; Rai, Rakesh Kumar; Saxena, Himani; Gupta, Ashish; Banerjee, Mainak; Jha, Kunal Kumar; Roy, Gouriprasanna
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	5
Pages of publication	4766 - 4776
a	7.549 ± 0.002 Å
b	16.219 ± 0.004 Å
c	33.295 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	4076.5 ± 1.8 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1561
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1434
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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
219671 (current)	2019-10-28	cif/ Adding structures of 4514483 via cif-deposit CGI script.	4514483.cif