Crystallography Open Database

Information card for entry 1553689

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Coordinates	1553689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H20 Cu2 O11
Calculated formula	C28.5 H11 Cu2 O11
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	18.2664 ± 0.0005 Å
b	18.2664 ± 0.0005 Å
c	26.5488 ± 0.0006 Å
α	90°
β	90°
γ	120°
Cell volume	7671.5 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.1928
Residual factor for significantly intense reflections	0.151
Weighted residual factors for significantly intense reflections	0.4674
Weighted residual factors for all reflections included in the refinement	0.4955
Goodness-of-fit parameter for all reflections included in the refinement	1.643
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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