Crystallography Open Database

Information card for entry 4120628

4120627 << 4120628 >> 4120629

Preview

Coordinates	4120628.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Complex 2.OEt2
Formula	C37 H59.5 N3.5 Nb O0.5
Calculated formula	C37 H59.66 N3.34 Nb O0.66
Title of publication	Reaction of (Bisimido)niobium(V) Complexes with Organic Azides: [3 + 2] Cycloaddition and Reversible Cleavage of β-Diketiminato Ligands Involving Nitrene Transfer.
Authors of publication	Obenhuber, Andreas H.; Gianetti, Thomas L.; Berrebi, Xavier; Bergman, Robert G.; Arnold, John
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	8
Pages of publication	2994
a	10.4594 ± 0.0011 Å
b	11.0607 ± 0.0012 Å
c	18.1995 ± 0.0019 Å
α	77.313 ± 0.005°
β	85.045 ± 0.005°
γ	63.691 ± 0.005°
Cell volume	1841.2 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0516
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.0979
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.034
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4120628.cif
106636	2014-03-15	cif/ Adding structures of 4120628, 4120629, 4120630, 4120631, 4120632, 4120633, 4120634 via cif-deposit CGI script.	4120628.cif