Crystallography Open Database

Information card for entry 4329644

Preview

Coordinates	4329644.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H49.16 N O4 V
Calculated formula	C36 H49.16 N O4 V
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	17.1191 ± 0.0008 Å
b	10.9338 ± 0.0005 Å
c	19.5126 ± 0.0009 Å
α	90°
β	112.142 ± 0.001°
γ	90°
Cell volume	3383 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0395
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.1009
Weighted residual factors for all reflections included in the refinement	0.1012
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
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.	4329644.cif
78701	2013-04-02	cif/ Adding structures of 4329644 via cif-deposit CGI script.	4329644.cif