Crystallography Open Database

Information card for entry 7021592

Preview

Coordinates	7021592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H26 Cl3 N4 V
Calculated formula	C33 H26 Cl3 N4 V
SMILES	[V]12(Cl)(Cl)(Cl)[N](=C(c3[n]1c(ccc3)C(=[N]2c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.C(#N)C
Title of publication	Organometallic mediated radical polymerization of vinyl acetate using bis(imino)pyridine vanadium trichloride complexes.
Authors of publication	Perry, Mitchell R.; Allan, Laura E. N.; Decken, Andreas; Shaver, Michael P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	25
Pages of publication	9157 - 9165
a	19.323 ± 0.002 Å
b	11.4292 ± 0.0014 Å
c	27.637 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	6103.5 ± 1.2 Å³
Cell temperature	198 ± 1 K
Ambient diffraction temperature	198 ± 1 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1619
Residual factor for significantly intense reflections	0.0651
Weighted residual factors for significantly intense reflections	0.1201
Weighted residual factors for all reflections included in the refinement	0.1702
Goodness-of-fit parameter for all reflections included in the refinement	1.161
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
179920 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/15.	7021592.cif
87132	2013-07-14	cif/ Adding structures of 7021591, 7021592 via cif-deposit CGI script.	7021592.cif