Crystallography Open Database

Information card for entry 1553690

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Coordinates	1553690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H48 Cu2 N4 O16
Calculated formula	C26 H12 Cu2 O10
Title of publication	A family of ssa-type copper-based MOFs constructed from unsymmetrical diisophthalates: synthesis, characterization and selective gas adsorption
Authors of publication	Chen, Fengli; Bai, Dongjie; Wang, Yao; Jiang, Donghao; He, Yabing
Journal of publication	Materials Chemistry Frontiers
Year of publication	2017
Journal volume	1
Journal issue	11
Pages of publication	2283
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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