Crystallography Open Database

Information card for entry 4318326

Preview

Coordinates	4318326.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H33 Cl2 N3 V
Calculated formula	C18 H33 Cl2 N3 V
SMILES	c1(c(cccc1C(C)C)C(C)C)N=[V]1([N](CC[N]1(C)C)(C)C)(Cl)Cl
Title of publication	Synthesis and Structure of a Series of New d1-Aryl Imido-Vanadium(IV) Complexes Stabilized by N-Donor Ligands
Authors of publication	Christian Lorber; Robert Choukroun; Bruno Donnadieu
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	4217 - 4226
a	11.147 ± 0.005 Å
b	19.357 ± 0.005 Å
c	10.003 ± 0.005 Å
α	90 ± 0.005°
β	94.763 ± 0.005°
γ	90 ± 0.005°
Cell volume	2150.9 ± 1.5 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 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	0.0342
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0781
Weighted residual factors for all reflections included in the refinement	0.0807
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
179263 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/83.	4318326.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4318326.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4318326.cif
15039	2011-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4318326 via cif-deposit CGI script.	4318326.cif