Crystallography Open Database

Information card for entry 4515298

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Coordinates	4515298.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C124 H218 Cu8 N40 O46 S
Calculated formula	C48 H18 Cu8 N24 O22 S
Title of publication	Mesoporous Hexanuclear Copper Cluster-Based Metal-Organic Framework with Highly Selective Adsorption of Gas and Organic Dye Molecules.
Authors of publication	Wang, Dongmei; Zhang, Jian; Li, Guanghua; Yuan, Jiaqi; Li, Jiantang; Huo, Qisheng; Liu, Yunling
Journal of publication	ACS applied materials & interfaces
Year of publication	2018
Journal volume	10
Journal issue	37
Pages of publication	31233 - 31239
a	44.73 ± 0.006 Å
b	44.73 ± 0.006 Å
c	62.671 ± 0.013 Å
α	90°
β	90°
γ	120°
Cell volume	108591 ± 3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.1393
Residual factor for significantly intense reflections	0.0604
Weighted residual factors for significantly intense reflections	0.1297
Weighted residual factors for all reflections included in the refinement	0.1476
Goodness-of-fit parameter for all reflections included in the refinement	0.842
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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