Crystallography Open Database

Information card for entry 4073190

Preview

Coordinates	4073190.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H45 Si2 Ti
Calculated formula	C25 H45 Si2 Ti
SMILES	[Ti]12345678([c]9([Si](C)(C)C)[c]1([c]2([c]3([c]49C)C)C)C)([c]1([Si](C)(C)C)[c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Effect of the Trimethylsilyl Substituent on the Reactivity of Permethyltitanocene
Authors of publication	Pinkas, Jiří; Lukešová, Lenka; Gyepes, Róbert; Císařová, Ivana; Lönnecke, Peter; Kubišta, Jiří; Horáček, Michal; Mach, Karel
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	13
Pages of publication	3100
a	8.5124 ± 0.001 Å
b	9.0457 ± 0.0015 Å
c	19.055 ± 0.003 Å
α	95.941 ± 0.014°
β	91.303 ± 0.012°
γ	114.724 ± 0.013°
Cell volume	1322 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0542
Residual factor for significantly intense reflections	0.0436
Weighted residual factors for significantly intense reflections	0.101
Weighted residual factors for all reflections included in the refinement	0.107
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	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178620 (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 4/07/31.	4073190.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073190.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073190.cif
46210	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073189, 4073190, 4073191 via cif-deposit CGI script.	4073190.cif