Crystallography Open Database

Information card for entry 4314960

Preview

Coordinates	4314960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H34 F6 O10 S2 Ti
Calculated formula	C18 H34 F6 O10 S2 Ti
Title of publication	Syntheses and Structures of Cationic and Neutral, Homo- and Heteroleptic tert-Butoxides of the Group 4 Metals
Authors of publication	Edmond Y. Njua; Alexander Steiner; Lothar Stahl
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	2163 - 2172
a	16.6042 ± 0.0008 Å
b	16.6042 ± 0.0008 Å
c	17.7297 ± 0.0017 Å
α	90°
β	90°
γ	120°
Cell volume	4233.2 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0607
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1402
Weighted residual factors for all reflections included in the refinement	0.1484
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4314960.html