Crystallography Open Database

Information card for entry 7061775

Preview

Coordinates	7061775.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C8H7ClN3Ni0.5O0.5
Formula	C8 H7 Cl N3 Ni0.5 O0.5
Calculated formula	C8 H7 Cl N3 Ni0.5 O0.5
Title of publication	A hemilabile 2-(2′-pyridyl)-imidazole based nickel(ii) complex: proton-coupled-electron-transfer, bactericidal and cytotoxicity studies
Authors of publication	Paramanik, Krishnendu; Bandopadhyay, Nilaj; Debnath, Rakesh; Roy, Suvojit; Kotakonda, Muddukrishnaiah; Adak, Mrinal Kanti; Biswas, Bhaskar; Sankar Das, Hari
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	36
Pages of publication	17517 - 17526
a	9.07 ± 0.06 Å
b	15.98 ± 0.11 Å
c	12.33 ± 0.09 Å
α	90°
β	90°
γ	90°
Cell volume	1787 ± 2 Å³
Cell temperature	293.15 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.1349
Residual factor for significantly intense reflections	0.053
Weighted residual factors for significantly intense reflections	0.1005
Weighted residual factors for all reflections included in the refinement	0.1255
Goodness-of-fit parameter for all reflections included in the refinement	1.001
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
278450 (current)	2022-10-07	cif/ Updating files of 7061775 Original log message: Adding full bibliography for 7061775.cif.	7061775.cif
277524	2022-09-01	cif/ Adding structures of 7061775 via cif-deposit CGI script.	7061775.cif