Crystallography Open Database

Information card for entry 4126774

Preview

Coordinates	4126774.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H16 Co O4 S4
Calculated formula	C30 H16 Co O4 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	11.3664 Å
b	12.4934 Å
c	22.908 Å
α	90°
β	91.886°
γ	90°
Cell volume	3251.29 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 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	0.2946
Residual factor for significantly intense reflections	0.1768
Weighted residual factors for significantly intense reflections	0.3994
Weighted residual factors for all reflections included in the refinement	0.4342
Goodness-of-fit parameter for all reflections included in the refinement	1.636
Diffraction radiation wavelength	0.71075 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/4126774.html