Crystallography Open Database

Information card for entry 4067175

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Coordinates	4067175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H41 N2 Ti
Calculated formula	C22 H41 N2 Ti
Title of publication	Synthesis, Structural Characterization, and Preliminary Reactivity Profile of a Series of Monocyclopentadienyl, Monoacetamidinate Titanium(III) Alkyl Complexes Bearing β-Hydrogens
Authors of publication	Trunkely, Emily F.; Epshteyn, Albert; Zavalij, Peter Y.; Sita, Lawrence R.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	23
Pages of publication	6587
a	11.1945 ± 0.0005 Å
b	16.3777 ± 0.0008 Å
c	12.7894 ± 0.0006 Å
α	90°
β	94.435 ± 0.001°
γ	90°
Cell volume	2337.79 ± 0.19 Å³
Cell temperature	220 ± 2 K
Ambient diffraction temperature	220 ± 2 K
Number of distinct elements	4
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	0.0433
Residual factor for significantly intense reflections	0.0342
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0822
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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