Crystallography Open Database

Information card for entry 7224340

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Coordinates	7224340.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	wcz
Formula	C42 H70 Ca Cd Cl4 N24 O23
Calculated formula	C42 H48 Ca Cd Cl4 N24 O16
Title of publication	Methyl-substituted cucurbit[6]uril-based microporous supramolecular frameworks for highly selective Et2O/CH3OH adsorption
Authors of publication	Wang, Chuan-Zeng; Zhao, Wen-Xuan; Shen, Fang-Fang; Zhang, Yun-Qian; Zhu, Qian-Jiang; Xiao, Xin; Tao, Zhu
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2112
a	26.74 ± 0.02 Å
b	15.068 ± 0.012 Å
c	19.967 ± 0.016 Å
α	90°
β	128.436 ± 0.011°
γ	90°
Cell volume	6302 ± 9 Å³
Cell temperature	243 ± 2 K
Ambient diffraction temperature	243 ± 2 K
Number of distinct elements	7
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	0.1917
Residual factor for significantly intense reflections	0.1023
Weighted residual factors for significantly intense reflections	0.2904
Weighted residual factors for all reflections included in the refinement	0.3397
Goodness-of-fit parameter for all reflections included in the refinement	0.948
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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