Crystallography Open Database

Information card for entry 8105448

Preview

Coordinates	8105448.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H24 N8 O5 S V
Calculated formula	C16 H24 N8 O5 S V
SMILES	[V](=O)(OS(=O)(=O)[O-])([n]1cn(C)cc1)([n]1cn(C)cc1)([n]1cn(C)cc1)[n]1cn(C)cc1
Title of publication	The crystal structure of tetrakis(1-methylimidazole-κ1 N)-oxido-(sulfato-κ1 O)vanadium(IV), C16H24N8O5SV
Authors of publication	Zhang, Gang; Luan, Jian; Wang, Xiao-Jie
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2020
Journal volume	235
Journal issue	6
Pages of publication	1295 - 1296
a	9.6165 ± 0.0006 Å
b	16.6705 ± 0.001 Å
c	15.2726 ± 0.0007 Å
α	90°
β	121.63 ± 0.003°
γ	90°
Cell volume	2084.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 K
Number of distinct elements	6
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	0.0521
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1443
Goodness-of-fit parameter for all reflections included in the refinement	1.179
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
276147 (current)	2022-06-22	cif/ Adding structures of 8105448 via cif-deposit CGI script.	8105448.cif