Crystallography Open Database

Information card for entry 4519123

4519122 << 4519123 >> 4519124

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Coordinates	4519123.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H61.72 Cl6 N35 O16 Zn
Calculated formula	C66 H61.724 Cl6 N35 O16 Zn
Title of publication	Cucurbit[8]uril-Assisted Nucleophilic Reaction: A Unique Supramolecular Approach for Cyanide Detection and Removal from Aqueous Solution.
Authors of publication	Shen, Hongqun; Liu, Chun; Zheng, Jun; Tao, Zhu; Nie, Haigen; Ni, Xin-Long
Journal of publication	ACS applied materials & interfaces
Year of publication	2021
Journal volume	13
Journal issue	46
Pages of publication	55463 - 55469
a	18.2471 ± 0.001 Å
b	26.9246 ± 0.0015 Å
c	21.8712 ± 0.001 Å
α	90°
β	112.775 ± 0.002°
γ	90°
Cell volume	9907.4 ± 0.9 Å³
Cell temperature	210 ± 2 K
Ambient diffraction temperature	210 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.064
Weighted residual factors for significantly intense reflections	0.1889
Weighted residual factors for all reflections included in the refinement	0.2027
Goodness-of-fit parameter for all reflections included in the refinement	1.075
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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