Crystallography Open Database

Information card for entry 4071272

Preview

Coordinates	4071272.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 N V
Calculated formula	C37 H34 N V
SMILES	[V]12345678([N](CC[c]95[cH]1[cH]2[cH]3[cH]49)(C)C)[CH](c1ccccc1)=[C]6([C]7(c1ccccc1)=[CH]8c1ccccc1)c1ccccc1
Title of publication	Vanadium (β-(Dimethylamino)ethyl)cyclopentadienyl Complexes with Diphenylacetylene Ligands
Authors of publication	Liu, Guohua; Lu, Xiaoquan; Gagliardo, Marcella; Beetstra, Dirk J.; Meetsma, Auke; Hessen, Bart
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	10
Pages of publication	2316
a	9.5142 ± 0.0009 Å
b	30.774 ± 0.003 Å
c	10.501 ± 0.001 Å
α	90°
β	116.33 ± 0.002°
γ	90°
Cell volume	2755.6 ± 0.5 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	4
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	0.0889
Residual factor for significantly intense reflections	0.0678
Weighted residual factors for significantly intense reflections	0.1465
Weighted residual factors for all reflections included in the refinement	0.1612
Goodness-of-fit parameter for all reflections included in the refinement	0.986
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
178601 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/12.	4071272.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071272.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071272.cif
43129	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071272 via cif-deposit CGI script.	4071272.cif