Crystallography Open Database

Information card for entry 7231616

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Coordinates	7231616.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H16 Cu2 N2 O10
Calculated formula	C28 H12 Cu2 N2 O10
Title of publication	A NbO-type MOF based on an aromatic-rich and N-functionalized diisophthalate ligand for high-performance acetylene storage and purification
Authors of publication	Li, Saidan; Wu, Jing; Gao, Xiaoxia; He, Minghui; Wang, Yao; Wang, Xia; He, Yabing
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	44
Pages of publication	7178
a	18.5209 ± 0.0003 Å
b	18.5209 ± 0.0003 Å
c	39.0171 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	11590.7 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0613
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1413
Weighted residual factors for all reflections included in the refinement	0.1522
Goodness-of-fit parameter for all reflections included in the refinement	1.015
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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