Crystallography Open Database

Information card for entry 7714887

Preview

Coordinates	7714887.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H24 Cl2 N2 O2 Zn
Calculated formula	C15 H24 Cl2 N2 O2 Zn
SMILES	[Zn]1(Cl)(Cl)[N](=Cc2ccc(C)cc2O1)CC[NH+]1CCCCC1.O
Title of publication	Comparative analysis of Zn(II)-complexes as model metalloenzymes for mimicking Jack bean urease.
Authors of publication	Ghanta, Rinku; Chowdhury, Tania; Ghosh, Avik; Das, Avijit K.; Chattopadhyay, Tanmay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	5
Pages of publication	2373 - 2385
a	9.042 ± 0.004 Å
b	10.15 ± 0.005 Å
c	11.002 ± 0.005 Å
α	101.564 ± 0.017°
β	98.128 ± 0.015°
γ	109.61 ± 0.016°
Cell volume	907.7 ± 0.7 Å³
Cell temperature	145 ± 2 K
Ambient diffraction temperature	145 ± 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	0.094
Residual factor for significantly intense reflections	0.0895
Weighted residual factors for significantly intense reflections	0.2628
Weighted residual factors for all reflections included in the refinement	0.278
Goodness-of-fit parameter for all reflections included in the refinement	1.163
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
289474 (current)	2024-02-04	cif/ Updating files of 7714887, 7714888 Original log message: Adding full bibliography for 7714887--7714888.cif.	7714887.cif
288663	2024-01-04	cif/ Adding structures of 7714887, 7714888 via cif-deposit CGI script.	7714887.cif