Crystallography Open Database

Information card for entry 4517859

Preview

Coordinates	4517859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 K3 O60
Calculated formula	C72 H84 K3 O60
Title of publication	Metal-Organic Framework Based on α-Cyclodextrin Gives High Ethylene Gas Adsorption Capacity and Storage Stability.
Authors of publication	Li, Han; Shi, Linfan; Li, Chao; Fu, Xiong; Huang, Qiang; Zhang, Bin
Journal of publication	ACS applied materials & interfaces
Year of publication	2020
Journal volume	12
Journal issue	30
Pages of publication	34095 - 34104
a	24.012 ± 0.0018 Å
b	14.093 ± 0.0009 Å
c	16.6128 ± 0.0016 Å
α	90°
β	107.838 ± 0.01°
γ	90°
Cell volume	5351.5 ± 0.8 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	4
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1175
Residual factor for significantly intense reflections	0.077
Weighted residual factors for significantly intense reflections	0.2018
Weighted residual factors for all reflections included in the refinement	0.2293
Goodness-of-fit parameter for all reflections included in the refinement	0.938
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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