Crystallography Open Database

Information card for entry 7057476

Preview

Coordinates	7057476.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C94 H106 Cd2 Cl8 N50 O43
Calculated formula	C94 H106 Cd2 Cl8 N50 O43
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	23.0853 ± 0.0019 Å
b	24.898 ± 0.002 Å
c	24.78 ± 0.003 Å
α	90°
β	111.814 ± 0.002°
γ	90°
Cell volume	13223 ± 2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0933
Residual factor for significantly intense reflections	0.0608
Weighted residual factors for significantly intense reflections	0.1783
Weighted residual factors for all reflections included in the refinement	0.2117
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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