Crystallography Open Database

Information card for entry 3000001

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Coordinates	3000001.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Di-μ-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]
Formula	C4 H16 F8 O4 S2 Zr2
Calculated formula	C4 H16 F8 O4 S2 Zr2
SMILES	F[Zr]1(F)(F)([OH2])([F][Zr]([F]1)(F)(F)(F)([OH2])[O]=S(C)C)[O]=S(C)C
Title of publication	Di-mu-fluoro-bis[aqua-(dimethyl sulfoxide)-trifluorozirconium(IV)]
Authors of publication	Youping Gao; Armel Le Bail
Journal of publication	Powder Diffraction
Year of publication	2010
Journal volume	25
Pages of publication	329
a	7.8266 ± 0.0003 Å
b	13.5847 ± 0.0005 Å
c	15.6119 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	1659.89 ± 0.11 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	6
Space group number	64
Hermann-Mauguin space group symbol	C m c a
Hall space group symbol	-C 2ac 2
Residual factor R(I) for significantly intense reflections	4.7283
Goodness-of-fit parameter for all reflections	23.6
Method of determination	powder diffraction
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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