Crystallography Open Database

Information card for entry 4107344

Preview

Coordinates	4107344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H91 Nb O3 Si3
Calculated formula	C45 H91 Nb O3 Si3
Title of publication	Olefin Substitution in (silox)3M(olefin) (silox =tBu3SiO; M = Nb, Ta): The Role of Density of States in Second vs Third Row Transition Metal Reactivity
Authors of publication	Kurt F. Hirsekorn; Elliott B. Hulley; Peter T. Wolczanski; Thomas R. Cundari
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1183 - 1196
a	12.6914 ± 0.0005 Å
b	17.3097 ± 0.0007 Å
c	22.8051 ± 0.0008 Å
α	90°
β	90.974 ± 0.001°
γ	90°
Cell volume	5009.2 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0668
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0858
Weighted residual factors for all reflections included in the refinement	0.0958
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107344.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107344.cif
55009	2012-05-02	cif/ Adding structures of 4107344 via cif-deposit CGI script.	4107344.cif