Crystallography Open Database

Information card for entry 4112903

Preview

Coordinates	4112903.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H62 N2 Si V
Calculated formula	C37.9885 H61.9655 N2 Si V
Title of publication	Terminal Vanadium-Neopentylidyne Complexes and Intramolecular Cross-Metathesis Reactions to Generate Azametalacyclohexatrienes
Authors of publication	Falguni Basuli; Brad C. Bailey; Douglas Brown; John Tomaszewski; John C. Huffman; Mu-Hyun Baik; Daniel J. Mindiola
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	10506 - 10507
a	10.9314 ± 0.0013 Å
b	19.06 ± 0.002 Å
c	36.468 ± 0.004 Å
α	90°
β	90°
γ	90°
Cell volume	7598.2 ± 1.5 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 2 K
Number of distinct elements	5
Space group number	29
Hermann-Mauguin space group symbol	P 21 c a
Hall space group symbol	P -2ac 2a
Residual factor for all reflections	0.1064
Residual factor for significantly intense reflections	0.0822
Weighted residual factors for significantly intense reflections	0.2174
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178900 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/29.	4112903.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112903.cif
65321	2012-09-05	cif/ Adding structures of 4112903 via cif-deposit CGI script.	4112903.cif