Crystallography Open Database

Information card for entry 4107819

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Coordinates	4107819.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H124 K18 O185 Si3 W30 Zr6
Calculated formula	K12 O153.25 Si3 W30 Zr6
Title of publication	6-Peroxo-6-Zirconium Crown and Its Hafnium Analogue Embedded in a Triangular Polyanion: [M6(O2)6(OH)6(γ-SiW10O36)3]18- (M = Zr, Hf)
Authors of publication	Bassem S. Bassil; Sib Sankar Mal; Michael H. Dickman; Ulrich Kortz; Holger Oelrich; Lorenz Walder
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	6696 - 6697
a	52.1923 ± 0.0014 Å
b	17.6634 ± 0.0004 Å
c	36.4505 ± 0.0008 Å
α	90°
β	93.573 ± 0.001°
γ	90°
Cell volume	33538.2 ± 1.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.1245
Residual factor for significantly intense reflections	0.0749
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.2253
Goodness-of-fit parameter for all reflections included in the refinement	1.008
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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