Crystallography Open Database

Information card for entry 1548414

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Coordinates	1548414.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H12 Ag2 F4 N2 O4
Calculated formula	C12 H12 Ag2 F4 N2 O4
Title of publication	Arene guest selectivity and pore flexibility in a metal-organic framework with semi-fluorinated channel walls
Authors of publication	Rebecca Smith; Inigo J. Vitorica-Yrezabal; Adrian Hill; Lee Brammer
Journal of publication	Philosophical Transactions of the Royal Society A
Year of publication	2017
Journal volume	375
Pages of publication	1 - 16
a	25.1849 ± 0.0004 Å
b	25.1849 ± 0.0004 Å
c	33.2733 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	18277.1 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0317
Residual factor for significantly intense reflections	0.0276
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.0757
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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