Crystallography Open Database

Information card for entry 4071280

Preview

Coordinates	4071280.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H36 Cl Si2 Ti
Calculated formula	C22 H36 Cl Si2 Ti
SMILES	[c]12([c]3([Ti]456789%101(Cl)[c]([c]39C)([c]25C)[Si](C)(C)[Si]([c]14[c]%10([c]8([c]7([c]61C)C)C)C)(C)C)C)C
Title of publication	Reactivity of SiMe2H Substituents in Permethylated Titanocene Complexes: Dehydrocoupling and Ethene Hydrosilylation
Authors of publication	Horáček, Michal; Pinkas, Jiří; Gyepes, Róbert; Kubišta, Jiří; Mach, Karel
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	11
Pages of publication	2635
a	14.8534 ± 0.0004 Å
b	9.8688 ± 0.0004 Å
c	16.7163 ± 0.0007 Å
α	90°
β	109.387 ± 0.003°
γ	90°
Cell volume	2311.42 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 0.1 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	0.0626
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0923
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
178601 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/12.	4071280.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071280.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071280.cif
43135	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4071278, 4071279, 4071280 via cif-deposit CGI script.	4071280.cif