Crystallography Open Database

Information card for entry 7043923

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Coordinates	7043923.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 Cu2 N4 O16
Calculated formula	C26 H12 Cu2 O10
Title of publication	A Comparative Study of C2H2 Adsorption Properties in Five Isomeric Copper-Based MOFs Based on Naphthalene-Derived Diisophthalates
Authors of publication	Chen, Fengli; Bai, Dongjie; Jiang, Donghao; Wang, Yao; He, Yabing
Journal of publication	Dalton Trans.
Year of publication	2017
a	18.315 ± 0.0007 Å
b	18.315 ± 0.0007 Å
c	26.7665 ± 0.0014 Å
α	90°
β	90°
γ	120°
Cell volume	7775.6 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.1969
Residual factor for significantly intense reflections	0.1205
Weighted residual factors for significantly intense reflections	0.3686
Weighted residual factors for all reflections included in the refinement	0.4127
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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