Crystallography Open Database

Information card for entry 7045279

Preview

Coordinates	7045279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H19 F16 N5 O10 Zn2
Calculated formula	C38 H19 F16 N5 O10 Zn2
Title of publication	Metal-organic frameworks based on octafluorobiphenyl-4,4'-dicarboxylate: synthesis, crystal structure, and surface functionality.
Authors of publication	Cheplakova, Anastasia M.; Kovalenko, Konstantin A.; Samsonenko, Denis G.; Lazarenko, Vladimir A.; Khrustalev, Victor N.; Vinogradov, Andrey S.; Karpov, Victor M.; Platonov, Vyacheslav E.; Fedin, Vladimir P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	10
Pages of publication	3283 - 3297
a	16.9662 ± 0.0006 Å
b	15.2357 ± 0.0004 Å
c	18.9398 ± 0.0007 Å
α	90°
β	115.323 ± 0.004°
γ	90°
Cell volume	4425.4 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0556
Residual factor for significantly intense reflections	0.044
Weighted residual factors for significantly intense reflections	0.1086
Weighted residual factors for all reflections included in the refinement	0.1142
Goodness-of-fit parameter for all reflections included in the refinement	1.099
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
229246 (current)	2019-11-17	cif/ Updating files of 7045279, 7045280, 7045281, 7045282, 7045283, 7045284 Original log message: Adding full bibliography for 7045279--7045284.cif.	7045279.cif
205238	2018-01-16	cif/ Adding structures of 7045279, 7045280, 7045281, 7045282, 7045283, 7045284 via cif-deposit CGI script.	7045279.cif