Crystallography Open Database

Information card for entry 4314961

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Coordinates	4314961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H43 F3 O8 S Zr
Calculated formula	C21 H43 F3 O8 S Zr
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	9.2782 ± 0.0009 Å
b	17.4312 ± 0.0017 Å
c	18.1017 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	2927.6 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0306
Weighted residual factors for significantly intense reflections	0.0848
Weighted residual factors for all reflections included in the refinement	0.0867
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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