Crystallography Open Database

Information card for entry 7043921

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Coordinates	7043921.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cu2 N4 O15
Calculated formula	C28 H13 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	18.5945 ± 0.0004 Å
b	18.5945 ± 0.0004 Å
c	38.5773 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	11551.3 ± 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	0.0724
Residual factor for significantly intense reflections	0.0695
Weighted residual factors for significantly intense reflections	0.2158
Weighted residual factors for all reflections included in the refinement	0.2191
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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