Crystallography Open Database

Information card for entry 1561452

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Coordinates	1561452.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.6 H34.6 Cl4.8 N9
Calculated formula	C55.6 H34.6 Cl4.8 N9
Title of publication	Non-stackable molecules assemble into porous crystals displaying concerted cavity-changing motions
Authors of publication	Kang, Taewon; Kim, Hongsik; Jeoung, Sungeun; Moon, Dohyun; Moon, Hoi Ri; Lee, Dongwhan
Journal of publication	Chemical Science
Year of publication	2021
a	11.7152 ± 0.0003 Å
b	12.5774 ± 0.0003 Å
c	17.5509 ± 0.0006 Å
α	99.811 ± 0.002°
β	93.572 ± 0.002°
γ	101.07 ± 0.002°
Cell volume	2488.73 ± 0.12 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0868
Residual factor for significantly intense reflections	0.0797
Weighted residual factors for significantly intense reflections	0.242
Weighted residual factors for all reflections included in the refinement	0.2517
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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