Crystallography Open Database

Information card for entry 4110595

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Coordinates	4110595.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17.5 H23 O0.5 Si Ti0.5
Calculated formula	C17.5 H23 O0.5 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	19.2729 ± 0.0008 Å
b	12.072 ± 0.0005 Å
c	14.6636 ± 0.0006 Å
α	90°
β	111.057 ± 0.001°
γ	90°
Cell volume	3183.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0554
Residual factor for significantly intense reflections	0.0351
Weighted residual factors for significantly intense reflections	0.0933
Weighted residual factors for all reflections included in the refinement	0.0999
Goodness-of-fit parameter for all reflections included in the refinement	1.013
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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