Crystallography Open Database

Information card for entry 7229077

Preview

Coordinates	7229077.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H73 Cr6 Cs2 N6 O69.5 Si W12
Calculated formula	C54 Cr6 Cs2 N6 O69.5 Si W12
Title of publication	Proton Conduction in Alkali Metal Ion-Exchanged Porous Ionic Crystals
Authors of publication	Uchida, Sayaka; Hosono, Reina; Eguchi, Ryo; Kawahara, Ryosuke; Osuga, Ryota; Kondo, Junko Nomura; Hibino, Mitsuhiro; Mizuno, Noritaka
Journal of publication	Phys. Chem. Chem. Phys.
Year of publication	2017
a	13.506 ± 0.003 Å
b	20.537 ± 0.005 Å
c	20.565 ± 0.005 Å
α	76.764 ± 0.009°
β	73.713 ± 0.009°
γ	73.912 ± 0.009°
Cell volume	5190 ± 2 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1011
Residual factor for significantly intense reflections	0.0724
Weighted residual factors for significantly intense reflections	0.1757
Weighted residual factors for all reflections included in the refinement	0.1936
Goodness-of-fit parameter for all reflections included in the refinement	0.956
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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