Crystallography Open Database

Information card for entry 4349679

Preview

Coordinates	4349679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H13 Cu2 F3 O10
Calculated formula	C23 H9 Cu2 F3 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	18.5503 ± 0.0006 Å
b	18.5503 ± 0.0006 Å
c	38.8068 ± 0.0012 Å
α	90°
β	90°
γ	120°
Cell volume	11564.9 ± 0.6 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	0.072
Residual factor for significantly intense reflections	0.0557
Weighted residual factors for significantly intense reflections	0.1476
Weighted residual factors for all reflections included in the refinement	0.1604
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4349679.html