Crystallography Open Database

Information card for entry 4331752

Preview

Coordinates	4331752.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	η^2^-[1,1,1,3,3,5,5,5-Octamethyl-2,4-bis(trimethylsilyl)pentasilane- 2,4-diolato]-η^1^-dichloro-titanium
Formula	C14 H42 Cl2 O2 Si7 Ti
Calculated formula	C14 H42 Cl2 O2 Si7 Ti
SMILES	[Ti]1(Cl)(Cl)O[Si]([Si](C)(C)C)([Si]([Si]([Si](C)(C)C)([Si](C)(C)C)O1)(C)C)[Si](C)(C)C
Title of publication	Trisilane-1,3-diolato Complexes of Ti and Zr: Syntheses and X-ray Crystal Structures†
Authors of publication	Krempner, C.; Köckerling, M.; Reinke, H.; Weichert, K.
Journal of publication	Inorganic Chemistry
Year of publication	2006
Journal volume	45
Journal issue	8
Pages of publication	3203 - 3211
a	9.33 ± 0.0002 Å
b	17.701 ± 0.0004 Å
c	9.9319 ± 0.0002 Å
α	90°
β	101.221 ± 0.001°
γ	90°
Cell volume	1608.9 ± 0.06 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.037
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0697
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
179420 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/17.	4331752.cif
97861	2014-01-29	cif/ Adding structures of 4331752, 4331753, 4331754, 4331755, 4331756 via cif-deposit CGI script.	4331752.cif