Crystallography Open Database

Information card for entry 4082533

Preview

Coordinates	4082533.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16.12 H21.23 Al Cl1.38 Ti
Calculated formula	C16.117 H21.234 Al Cl1.383 Ti
Title of publication	Structural Elucidation of the Illustrious Tebbe Reagent
Authors of publication	Thompson, Rick; Nakamaru-Ogiso, Eiko; Chen, Chun-Hsing; Pink, Maren; Mindiola, Daniel J.
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	1
Pages of publication	429
a	22.4504 ± 0.0008 Å
b	11.9176 ± 0.0004 Å
c	15.2004 ± 0.001 Å
α	90°
β	124.858 ± 0.001°
γ	90°
Cell volume	3337.2 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0467
Residual factor for significantly intense reflections	0.0435
Weighted residual factors for significantly intense reflections	0.0954
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.209
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
178714 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/25.	4082533.cif
104437	2014-03-11	cif/ Adding structures of 4082533 via cif-deposit CGI script.	4082533.cif