Crystallography Open Database

Information card for entry 8106926

Preview

Coordinates	8106926.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H15 N6 Nb O7
Calculated formula	C18 H15 N6 Nb O7
SMILES	[Nb]123(=O)([O]=NN(O2)c2ccccc2)(ON(c2ccccc2)N=[O]1)ON(N=[O]3)c1ccccc1
Title of publication	Crystal structure of tris(N-nitroso-N-oxyanilino-κ2 O, O′) oxidoniobium(V), C18H15N6O7Nb
Authors of publication	Belay, Alebel N.; Koen, Renier; Venter, Johan A.; Drost, Ruben M.
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2016
Journal volume	231
Journal issue	2
Pages of publication	513 - 515
a	13.07 ± 0.004 Å
b	10.165 ± 0.003 Å
c	15.109 ± 0.004 Å
α	90°
β	92.198 ± 0.01°
γ	90°
Cell volume	2005.9 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0824
Weighted residual factors for all reflections included in the refinement	0.0876
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
281838 (current)	2023-03-13	cif/ Adding structures of 8106926 via cif-deposit CGI script.	8106926.cif