Crystallography Open Database

Information card for entry 4349680

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Coordinates	4349680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H13 Cu2 F O10
Calculated formula	C22 H9 Cu2 F O10
Title of publication	A comparative study of the effect of functional groups on C2H2 adsorption in NbO-type metal‒organic frameworks
Authors of publication	Chen, Fengli; Bai, Dongjie; Wang, Xia; He, Yabing
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2017
Journal volume	4
Journal issue	6
Pages of publication	960
a	18.7065 ± 0.0019 Å
b	18.7065 ± 0.0019 Å
c	38.488 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	11663.8 ± 1.9 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	0.0814
Residual factor for significantly intense reflections	0.0528
Weighted residual factors for significantly intense reflections	0.1506
Weighted residual factors for all reflections included in the refinement	0.1564
Goodness-of-fit parameter for all reflections included in the refinement	1.152
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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