Crystallography Open Database

Information card for entry 4066238

Preview

Coordinates	4066238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H39 Cl Si2 Ti
Calculated formula	C24 H39 Cl Si2 Ti
Title of publication	Reduction-Induced Exclusive Activation of theansa-1,2-Bis(dimethylsilylene)ethane Chain inansa-Permethyltitanocene Compounds§
Authors of publication	Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Kubišta, Jiří; Horáček, Michal; Mach, Karel
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	21
Pages of publication	5199
a	8.6733 ± 0.0003 Å
b	8.975 ± 0.0004 Å
c	16.973 ± 0.0005 Å
α	86.187 ± 0.002°
β	82.613 ± 0.002°
γ	70.6677 ± 0.0015°
Cell volume	1235.98 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0598
Residual factor for significantly intense reflections	0.0489
Weighted residual factors for significantly intense reflections	0.1225
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178554 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/62.	4066238.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066238.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066238.cif
33835	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066235, 4066236, 4066237, 4066238, 4066239, 4066240 via cif-deposit CGI script.	4066238.cif