Crystallography Open Database

Information card for entry 4075559

Preview

Coordinates	4075559.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H43 Cl O2 Si Ti
Calculated formula	C31 H43 Cl O2 Si Ti
SMILES	[Ti]12345(Cl)(Oc6c(cc(cc6C(C)(C)C)C)Cc6c(O1)c(cc(c6)C)C(C)(C)C)[c]1([cH]2[cH]3[cH]4[cH]51)[Si](C)(C)C
Title of publication	Monocyclopentadienyl Chloro Bisphenoxo Ti(η5-C5H4SiMe2Cl)(η2-MBMP)Cl Derivative: Ti−Cl, Ti−O, and Si−Cl Reactivity. Crystal Structure of Ti(η5-C5H4SiMe3)(η2-MBMP)Cl and Ti(η5-C5H4SiMe2-η1-MBMP)(CH2Ph)2
Authors of publication	González-Maupoey, Marta; Cuenca, Tomás; Herdtweck, Eberhardt
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	18
Pages of publication	4358
a	12.7806 ± 0.0001 Å
b	14.2076 ± 0.0001 Å
c	17.5955 ± 0.0001 Å
α	90°
β	108.038 ± 0.0003°
γ	90°
Cell volume	3037.98 ± 0.04 Å³
Cell temperature	173 ± 1 K
Ambient diffraction temperature	173 ± 1 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	0.0388
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0739
Weighted residual factors for all reflections included in the refinement	0.0773
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Version history is temporarily not available due to server issues.