Crystallography Open Database

Information card for entry 4110597

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Coordinates	4110597.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H21 O Si Ti0.5
Calculated formula	C13 H21 O Si Ti0.5
Title of publication	Mono(dinitrogen) and Carbon Monoxide Adducts of Bis(cyclopentadienyl) Titanium Sandwiches
Authors of publication	Tamara E. Hanna; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	6018 - 6019
a	17.083 ± 0.0005 Å
b	8.4015 ± 0.0003 Å
c	19.0165 ± 0.0008 Å
α	90°
β	98.493 ± 0.002°
γ	90°
Cell volume	2699.37 ± 0.17 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0628
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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