Crystallography Open Database

Information card for entry 1516567

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Coordinates	1516567.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	NO2-DMOF
Formula	C22 H18 N4 O12 Zn2
Calculated formula	C22 H16 N4 O12 Zn2
Title of publication	Guest-dependent mechanical anisotropy in pillared-layered soft porous crystals ‒ a nanoindentation study
Authors of publication	Henke, Sebastian; Li, Wei; Cheetham, Anthony K.
Journal of publication	Chemical Science
Year of publication	2014
Journal volume	5
Journal issue	6
Pages of publication	2392
a	16.2647 ± 0.0005 Å
b	14.5206 ± 0.0005 Å
c	9.6475 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	2278.48 ± 0.13 Å³
Cell temperature	270 K
Ambient diffraction temperature	270 K
Number of distinct elements	5
Space group number	50
Hermann-Mauguin space group symbol	P b a n
Hall space group symbol	-P 2ab 2b
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0627
Weighted residual factors for significantly intense reflections	0.2025
Weighted residual factors for all reflections included in the refinement	0.2116
Goodness-of-fit parameter for all reflections included in the refinement	1.16
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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