Crystallography Open Database

Information card for entry 4001630

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Coordinates	4001630.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H86 Cl24 Cr12 O111 Si W12
Calculated formula	C48 Cl24 Cr12 O112 Si W12
Title of publication	Selective Sorption of Olefins by Halogen-Substituted Macrocation-Polyoxometalate Porous Ionic Crystals
Authors of publication	Uchida, Sayaka; Eguchi, Ryo; Nakamura, Shinnosuke; Ogasawara, Yoshiyuki; Kurosawa, Noriyuki; Mizuno, Noritaka
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	2
Pages of publication	325
a	30.0618 ± 0.0002 Å
b	17.5261 ± 0.0001 Å
c	32.1751 ± 0.0002 Å
α	90°
β	101.536 ± 0.0003°
γ	90°
Cell volume	16609.5 ± 0.18 Å³
Cell temperature	153.1 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for significantly intense reflections	0.0388
Weighted residual factors for all reflections included in the refinement	0.1351
Goodness-of-fit parameter for all reflections included in the refinement	1.155
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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