Crystallography Open Database

Information card for entry 8106277

Preview

Coordinates	8106277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H7 N4 O5 V
Calculated formula	C4 H7 N4 O5 V
SMILES	C1(=O)c2cc[nH][n]2[V]23([NH2]O2)([NH2]O3)(O1)=O
Title of publication	Crystal structure of bis(hydroxylamido-κ2 O,N)-oxido(1H-pyrazole-3-carboxylato-κ2 O,N)vanadium(V), C4H7N4O5V
Authors of publication	Zhang, Heng-Qiang; Wu, Qiong; Zhang, Qi-Ying; Yang, Xue; Chen, Hong-Li
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2018
Journal volume	233
Journal issue	4
Pages of publication	731 - 732
a	9.6179 ± 0.0008 Å
b	8.3133 ± 0.0007 Å
c	10.8235 ± 0.0009 Å
α	90°
β	102.253 ± 0.002°
γ	90°
Cell volume	845.7 ± 0.12 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0283
Residual factor for significantly intense reflections	0.0242
Weighted residual factors for significantly intense reflections	0.0687
Weighted residual factors for all reflections included in the refinement	0.0718
Goodness-of-fit parameter for all reflections included in the refinement	1.068
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
279598 (current)	2022-11-28	cif/ Adding structures of 8106277 via cif-deposit CGI script.	8106277.cif