Crystallography Open Database

Information card for entry 4331754

Preview

Coordinates	4331754.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^2^-dichloro- η^1^-tetrachloro-dititanium
Formula	C14 H42 Cl6 O2 Si7 Ti2
Calculated formula	C14 H42 Cl6 O2 Si7 Ti2
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	12.3918 ± 0.0004 Å
b	16.855 ± 0.0005 Å
c	18.0253 ± 0.0005 Å
α	90°
β	106.144 ± 0.001°
γ	90°
Cell volume	3616.37 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0218
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0519
Weighted residual factors for all reflections included in the refinement	0.0532
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	4331754.cif
97861	2014-01-29	cif/ Adding structures of 4331752, 4331753, 4331754, 4331755, 4331756 via cif-deposit CGI script.	4331754.cif