Crystallography Open Database

Information card for entry 4105665

Preview

Coordinates	4105665.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(THF)V(tpaMes)
Formula	C46 H53 N4 O V
Calculated formula	C46 H53 N4 O V
SMILES	[V]123([O]4CCCC4)n4c(C[N]1(Cc1n3c(c3c(C)cc(cc3C)C)cc1)Cc1n2c(c2c(cc(C)cc2C)C)cc1)ccc4c1c(cc(cc1C)C)C
Title of publication	A Structurally Characterized Nitrous Oxide Complex of Vanadium
Authors of publication	Nicholas A. Piro; Michael F. Lichterman; W. Hill Harman; Christopher J. Chang
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	2108 - 2111
a	10.91 ± 0.007 Å
b	11.252 ± 0.007 Å
c	16.024 ± 0.01 Å
α	90°
β	93.368 ± 0.01°
γ	90°
Cell volume	1964 ± 2 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0518
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0789
Weighted residual factors for all reflections included in the refinement	0.0851
Goodness-of-fit parameter for all reflections included in the refinement	1.034
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
178802 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/56.	4105665.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105665.cif
52426	2012-04-11	../uploads/cif-deposit/cod/cif Adding structures of 4105665 via cif-deposit CGI script.	4105665.cif