Crystallography Open Database

Information card for entry 2239106

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Structure parameters

Chemical name	Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]
Formula	C20 H30 N2 O2 Ti2
Calculated formula	C20 H30 N2 O2 Ti2
SMILES	C(=C)O[Ti]123456(N(C(C)C)[Ti]789%106([cH]6[cH]7[cH]8[cH]9[cH]%106)(N4C(C)C)OC=C)[cH]4[cH]1[cH]2[cH]3[cH]54
Title of publication	Bis(μ~2~-isopropylimido-κ^2^<i>N</i>:<i>N</i>)bis[(η^5^-cyclopentadienyl)(ethenolato-κ<i>O</i>)titanium(IV)]
Authors of publication	Haehnel, Martin; Spannenberg, Anke; Rosenthal, Uwe
Journal of publication	Acta Crystallographica Section E
Year of publication	2014
Journal volume	70
Journal issue	1
Pages of publication	m16
a	13.8746 ± 0.0004 Å
b	9.7484 ± 0.0002 Å
c	16.3264 ± 0.0004 Å
α	90°
β	106.593 ± 0.002°
γ	90°
Cell volume	2116.27 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
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	0.0261
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0693
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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