Crystallography Open Database

Information card for entry 7247682

Preview

Coordinates	7247682.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N8 Ni O11
Calculated formula	C22 H26.5 N8 Ni O10.75
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	10.949 ± 0.0005 Å
b	11.9806 ± 0.0007 Å
c	12.0973 ± 0.0006 Å
α	112.946 ± 0.005°
β	106.988 ± 0.004°
γ	99.066 ± 0.004°
Cell volume	1329.49 ± 0.15 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0379
Residual factor for significantly intense reflections	0.0326
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0861
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7247682.cif
287475	2023-11-08	cif/ Adding structures of 7247682, 7247683 via cif-deposit CGI script.	7247682.cif