Crystallography Open Database

Information card for entry 4084769

Preview

Coordinates	4084769.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H75 N4 Si2 V
Calculated formula	C45 H75 N4 Si2 V
SMILES	[V](=NC12CC3CC(C1)CC(C2)C3)(N=C1N(CCN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C[Si](C)(C)C)C[Si](C)(C)C
Title of publication	Synthesis of (Imido)vanadium(V) Alkyl and Alkylidene Complexes Containing Imidazolidin-2-iminato Ligands: Effect of Imido Ligand on ROMP and 1,2-C‒H Bond Activation of Benzene
Authors of publication	Nomura, Kotohiro; Bahuleyan, Bijal Kottukkal; Tsutsumi, Ken; Igarashi, Atsushi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	22
Pages of publication	6682
a	10.8115 ± 0.0002 Å
b	12.2653 ± 0.0003 Å
c	18.3622 ± 0.0004 Å
α	85.3288 ± 0.0007°
β	86.9167 ± 0.0007°
γ	72.4998 ± 0.0007°
Cell volume	2313.43 ± 0.09 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.0408
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.167
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178736 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/47.	4084769.cif
131423	2015-02-07	cif/ Updating files of 4084769 Original log message: Adding full bibliography for 4084769.cif.	4084769.cif
127447	2014-11-16	cif/ Adding structures of 4084769 via cif-deposit CGI script.	4084769.cif