Crystallography Open Database

Information card for entry 7110478

Preview

Coordinates	7110478.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H35 Si Ta
Calculated formula	C22 H35 Si Ta
Title of publication	The ansa-effect in permethyltantalocene chemistry: a [Me2Si] ansa bridge promotes olefin-insertion and reductive-elimination reactions for [Me2Si(C5Me4)2]Ta(η2-C2H4)H and [Me2Si(C5Me4)2]TaH3
Authors of publication	Shin, Jun Ho; Parkin, Gerard
Journal of publication	Chemical Communications
Year of publication	1999
Journal issue	10
Pages of publication	887
a	10.1777 ± 0.0006 Å
b	14.7904 ± 0.0008 Å
c	13.6189 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2050.1 ± 0.2 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	4
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0334
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.065
Goodness-of-fit parameter for all reflections included in the refinement	1.193
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
180218 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/04.	7110478.cif
95245	2014-01-28	cif/ Adding structures of 7110476, 7110477, 7110478 via cif-deposit CGI script.	7110478.cif