Crystallography Open Database

Information card for entry 7042995

Preview

Coordinates	7042995.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H62 N2 O18 Zn4
Calculated formula	C40 H48 O16 Zn4
Title of publication	Bicyclo[2.2.2]octane-1,4-dicarboxylic acid: Towards Transparent Metal-Organic Frameworks.
Authors of publication	Llabres, Pedro; Pitarch-Jarque, Javier; Ballesteros-Garrido, Rafael; Abarca, Belén; Ballesteros, Rafael; García-España, Enrique
Journal of publication	Dalton Trans.
Year of publication	2017
a	6.121 ± 0.0002 Å
b	19.591 ± 0.0009 Å
c	19.697 ± 0.0007 Å
α	90°
β	90.675 ± 0.002°
γ	90°
Cell volume	2361.83 ± 0.16 Å³
Cell temperature	120 ± 1 K
Ambient diffraction temperature	120 ± 1 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0638
Residual factor for significantly intense reflections	0.0576
Weighted residual factors for significantly intense reflections	0.1671
Weighted residual factors for all reflections included in the refinement	0.1747
Goodness-of-fit parameter for all reflections included in the refinement	1.076
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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