Crystallography Open Database

Information card for entry 4328074

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Coordinates	4328074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 Fe12 O104 Si W12
Calculated formula	C168 Fe12 O104 Si W12
Title of publication	Ionic Crystals [M3O(OOCC6H5)6(H2O)3]4[α-SiW12O40] (M = Cr, Fe) as Heterogeneous Catalysts for Pinacol Rearrangement
Authors of publication	Sayaka Uchida; Aldes Lesbani; Yoshiyuki Ogasawara; Noritaka Mizuno
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	775 - 777
a	22.4142 ± 0.0002 Å
b	33.2833 ± 0.0004 Å
c	22.9409 ± 0.0003 Å
α	90°
β	116.766 ± 0.0004°
γ	90°
Cell volume	15280.5 ± 0.3 Å³
Cell temperature	183 ± 1 K
Ambient diffraction temperature	183 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for significantly intense reflections	0.1191
Weighted residual factors for all reflections included in the refinement	0.3733
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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