Crystallography Open Database

Information card for entry 4126771

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Coordinates	4126771.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Co O5 S4
Calculated formula	C30 H16 Co O5 S4
Title of publication	Cooperative Bond Scission in a Soft Porous Crystal Enables Discriminatory Gate-Opening for Ethylene over Ethane.
Authors of publication	Sen, Susan; Hosono, Nobuhiko; Zheng, Jia-Jia; Kusaka, Shinpei; Matsuda, Ryotaro; Sakaki, Shigeyoshi; Kitagawa, Susumu
Journal of publication	Journal of the American Chemical Society
Year of publication	2017
a	11.8423 ± 0.0006 Å
b	12.3007 ± 0.0005 Å
c	25.9703 ± 0.0012 Å
α	90°
β	91.921 ± 0.004°
γ	90°
Cell volume	3780.9 ± 0.3 Å³
Cell temperature	93 K
Ambient diffraction temperature	93 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1664
Residual factor for significantly intense reflections	0.0929
Weighted residual factors for significantly intense reflections	0.2194
Weighted residual factors for all reflections included in the refinement	0.2472
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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