Crystallography Open Database

Information card for entry 4329639

Preview

Coordinates	4329639.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H30 N O4 V
Calculated formula	C24 H30 N O4 V
SMILES	[V]12([N](Cc3c(O1)cc(c(c3)C)C)(CCC)Cc1c(O2)cc(c(c1)C)C)(=O)OC(C)C
Title of publication	Aerobic Oxidation Reactions Catalyzed by Vanadium Complexes of Bis(Phenolate) Ligands
Authors of publication	Guoqi Zhang; Brian L. Scott; Ruilian Wu; L. A. Pete Silks; Susan K. Hanson
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7354 - 7361
a	18.394 ± 0.005 Å
b	11.734 ± 0.003 Å
c	21.344 ± 0.006 Å
α	90°
β	94.664 ± 0.003°
γ	90°
Cell volume	4592 ± 2 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1654
Residual factor for significantly intense reflections	0.0666
Weighted residual factors for significantly intense reflections	0.1517
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
179399 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/96.	4329639.cif
78696	2013-04-02	cif/ Adding structures of 4329639 via cif-deposit CGI script.	4329639.cif