Crystallography Open Database

Information card for entry 4107343

Preview

Coordinates	4107343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H180 O7 Si6 Ta2
Calculated formula	C80 H172 O7 Si6 Ta2
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	24.2852 ± 0.0013 Å
b	8.8145 ± 0.0005 Å
c	23.9509 ± 0.0013 Å
α	90°
β	111.97 ± 0.003°
γ	90°
Cell volume	4754.7 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0312
Weighted residual factors for significantly intense reflections	0.0616
Weighted residual factors for all reflections included in the refinement	0.0651
Goodness-of-fit parameter for all reflections included in the refinement	1.015
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.	4107343.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107343.cif
55008	2012-05-02	cif/ Adding structures of 4107343 via cif-deposit CGI script.	4107343.cif