Crystallography Open Database

Information card for entry 7247683

Preview

Coordinates	7247683.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N8 O11 Zn
Calculated formula	C22 H26 N8 O10 Zn
Title of publication	Two isostructural complexes of Ni(ii) and Zn(ii) with violurate and pyridine: a detailed structural, theoretical, magnetic, and NMR investigation
Authors of publication	Roy, Subhadip; Mal, Susital; Banik, Rupak; Das, Subrata; Dlháň, Ľubor; Titiš, Ján; Boča, Roman; Kirillov, Alexander M.; Novikov, Alexander S.; Hazendonk, Paul; Butcher, Ray J.; Bauza, Antonio; Frontera, Antonio
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	46
Pages of publication	6503 - 6511
a	11.1064 ± 0.0009 Å
b	12.1528 ± 0.0011 Å
c	12.3032 ± 0.0012 Å
α	113.663 ± 0.009°
β	106.663 ± 0.008°
γ	98.98 ± 0.007°
Cell volume	1385.8 ± 0.3 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1111
Residual factor for significantly intense reflections	0.0638
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1583
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
288787 (current)	2024-01-06	cif/ Updating files of 7247682, 7247683 Original log message: Adding full bibliography for 7247682--7247683.cif.	7247683.cif
287475	2023-11-08	cif/ Adding structures of 7247682, 7247683 via cif-deposit CGI script.	7247683.cif