Crystallography Open Database

Information card for entry 7106375

Preview

Coordinates	7106375.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H26 Cd4 F12 O23
Calculated formula	C38 H16 Cd4 F12 O23
Title of publication	A rod packing microporous metal-organic framework: unprecedented ukv topology, high sorption selectivity and affinity for CO2
Authors of publication	Lei Hou; Wen-Juan Shi; Yao-Yu Wang; Ying Guo; Chen Jin; Qi-Zhen Shi
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	5464
a	39.918 ± 0.004 Å
b	39.918 ± 0.004 Å
c	7.7112 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	10641.2 ± 1.9 Å³
Cell temperature	295 ± 2 K
Ambient diffraction temperature	295 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0544
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0994
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7106375.html