Crystallography Open Database

Information card for entry 7021591

Preview

Coordinates	7021591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H50 Cl3 N4 V
Calculated formula	C37 H50 Cl3 N4 V
SMILES	[V]12(Cl)(Cl)(Cl)[N](c3c(cccc3C(C)C)C(C)C)=C(CC)c3[n]1c(ccc3)C(=[N]2c1c(cccc1C(C)C)C(C)C)CC.N#CC
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	17.658 ± 0.009 Å
b	13.195 ± 0.006 Å
c	16.613 ± 0.008 Å
α	90°
β	104.052 ± 0.007°
γ	90°
Cell volume	3755 ± 3 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 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	0.107
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1072
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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.	7021591.cif
87132	2013-07-14	cif/ Adding structures of 7021591, 7021592 via cif-deposit CGI script.	7021591.cif