Crystallography Open Database

Information card for entry 7228494

Preview

Coordinates	7228494.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C88 H198 Cd3 Cl14 N48 O73 Sr4
Calculated formula	C88 H98 Cd3 Cl14 N48 O42 Sr4
Title of publication	Coordination and supramolecular assemblies of Mono-hydroxylated octamethylcucurbit[6]uril with alkali and alkaline earth metal ions in the presence of polychloride cadmium anions
Authors of publication	Shen, Fang-Fang; Zhao, Jiang-Lin; Chen, Kai; Xu, Jing; Wang, Yuan; Hua, Zi-Yi; Wu, Lu; Chen, Mindong; Zhang, Yun-Qian; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2017
a	15.5487 ± 0.0016 Å
b	15.7451 ± 0.0017 Å
c	20.742 ± 0.002 Å
α	94.195 ± 0.004°
β	111.638 ± 0.003°
γ	110.716 ± 0.003°
Cell volume	4292.2 ± 0.8 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1153
Residual factor for significantly intense reflections	0.0931
Weighted residual factors for significantly intense reflections	0.2812
Weighted residual factors for all reflections included in the refinement	0.3006
Goodness-of-fit parameter for all reflections included in the refinement	1.112
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
197872 (current)	2017-06-16	cif/ Adding structures of 7228490, 7228491, 7228492, 7228493, 7228494 via cif-deposit CGI script.	7228494.cif