Crystallography Open Database

Information card for entry 4113424

Preview

Coordinates	4113424.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	VOCl3 + carbene
Formula	C21 H24 Cl3 N2 O V
Calculated formula	C21 H24 Cl3 N2 O V
Title of publication	A Highly Stable N-Heterocyclic Carbene Complex of Trichloro-oxo-vanadium(V) Displaying Novel Cl-Ccarbene Bonding Interactions
Authors of publication	Colin D. Abernethy; Gareth M. Codd; Mark D. Spicer; Michelle K. Taylor
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	1128 - 1129
a	7.8641 ± 0.0002 Å
b	8.2857 ± 0.0002 Å
c	18.2282 ± 0.0005 Å
α	102.388°
β	91.132 ± 0.001°
γ	108.175°
Cell volume	1097.39 ± 0.05 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0557
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0873
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation probe	x-ray
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
178905 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/34.	4113424.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113424.cif
66657	2012-09-12	cif/ Adding structures of 4113424 via cif-deposit CGI script.	4113424.cif