Crystallography Open Database

Information card for entry 4328073

Preview

Coordinates	4328073.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C168 Cr12 O104 Si W12
Calculated formula	C168 Cr12 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	22.311 ± 0.0002 Å
b	33.0752 ± 0.0005 Å
c	23.0088 ± 0.0003 Å
α	90°
β	117.063 ± 0.0008°
γ	90°
Cell volume	15120 ± 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	0.1043
Weighted residual factors for all reflections included in the refinement	0.3298
Goodness-of-fit parameter for all reflections included in the refinement	1.174
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4328073.html