Crystallography Open Database

Information card for entry 7111352

Preview

Coordinates	7111352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H30 N5 O3 V
Calculated formula	C23 H30 N5 O3 V
SMILES	[V]12(=O)(n3c4ccccc4nc3C[N]1(Cc1[n]2c2ccccc2[nH]1)C)(OCCC)OCCC
Title of publication	Bis(benzimidazole)amine vanadium catalysts for olefin polymerisation and co-polymerisation: thermally robust, single-site catalysts activated by simple alkylaluminium reagentsElectronic supplementary information (ESI) available: experimental procedures for 2 and 3 and polymerisation protocols. See http://www.rsc.org/suppdata/cc/b4/b407065h/
Authors of publication	Tomov, Atanas K.; Gibson, Vernon C.; Zaher, Damien; Elsegood, Mark R. J.; Dale, Sophie H.
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	17
Pages of publication	1956 - 1957
a	9.4522 ± 0.0005 Å
b	24.2311 ± 0.0013 Å
c	10.2669 ± 0.0006 Å
α	90°
β	92.921 ± 0.002°
γ	90°
Cell volume	2348.4 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.0477
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0842
Weighted residual factors for all reflections included in the refinement	0.0932
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
180227 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/13.	7111352.cif
96448	2014-01-29	cif/ Adding structures of 7111352 via cif-deposit CGI script.	7111352.cif