Crystallography Open Database

Information card for entry 4112906

Preview

Coordinates	4112906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H90 B N2 O2 V
Calculated formula	C66 H84.191 B N2 O2 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	12.054 ± 0.008 Å
b	14.486 ± 0.01 Å
c	18.387 ± 0.013 Å
α	95.661 ± 0.019°
β	101.827 ± 0.016°
γ	101.927 ± 0.019°
Cell volume	3041 ± 4 Å³
Cell temperature	118 ± 2 K
Ambient diffraction temperature	118 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1466
Residual factor for significantly intense reflections	0.0613
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1509
Goodness-of-fit parameter for all reflections included in the refinement	0.812
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.	4112906.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112906.cif
65324	2012-09-05	cif/ Adding structures of 4112906 via cif-deposit CGI script.	4112906.cif