Crystallography Open Database

Information card for entry 7057475

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Coordinates	7057475.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H98 Cd2 Cl8 N50 O36
Calculated formula	C90 H98 Cd2 Cl8 N50 O36
Title of publication	A study of the interaction between inverted cucurbit[6]uril and symmetric viologens
Authors of publication	Bai, Dong; Gao, Zhongzheng; Tao, Zhu; Xiao, Xin; Prior, Timothy J.; Wei, Gang; Liu, Qingyun; Redshaw, Carl
Journal of publication	New Journal of Chemistry
Year of publication	2018
Journal volume	42
Journal issue	13
Pages of publication	11085
a	25.637 ± 0.011 Å
b	16.148 ± 0.007 Å
c	35.826 ± 0.015 Å
α	90°
β	97.719 ± 0.006°
γ	90°
Cell volume	14697 ± 11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.082
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.1513
Goodness-of-fit parameter for all reflections included in the refinement	0.951
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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