Crystallography Open Database

Information card for entry 1553688

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Coordinates	1553688.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H18 Cu2 O11
Calculated formula	C28 H15 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	18.4455 ± 0.0006 Å
b	18.4455 ± 0.0006 Å
c	26.4268 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	7786.7 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.1875
Residual factor for significantly intense reflections	0.1593
Weighted residual factors for significantly intense reflections	0.5094
Weighted residual factors for all reflections included in the refinement	0.5563
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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