Crystallography Open Database





Information card for 7108519

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Coordinates

7108519.cif

Structure parameters

Formula - C40 H20 N2 O10 Zn2 -
Calculated formula - C40 H20 N2 O10 Zn2 -
Title of publication A highly porous metal organic framework, constructed from a cuboctahedral super-molecular building block, with exceptionally high methane uptake
Authors of publication Ulrich Stoeck; Simon Krause; Volodymyr Bon; Irena Senkovska; Stefan Kaskel
Journal of publication Chem.Commun.
Year of publication 2012
Journal volume 48
Pages of publication 10841
a 46.806 ± 0.005 Å
b 46.806 ± 0.005 Å
c 46.806 ± 0.005 Å
α 90°
β 90°
γ 90°
Cell volume 102543 ± 19 Å3
Cell temperature 296 ± 2 K
Ambient diffraction temperature 296 ± 2 K
Number of distinct elements 5
Hermann-Mauguin symmetry space group F m -3 m
Hall symmetry space group -F 4 2 3
Residual factor for all reflections 0.0782
Residual factor for observed reflections 0.0548
Weighted residual factors for the observed reflections 0.1822
Weighted residual factors for all reflections included in the refinement 0.1968
Goodness-of-fit parameter for observed reflections 0.884
Diffraction radiation probe x-ray
Diffraction radiation wavelength 0.88561 Å
Diffraction radiation type synchrotron
Has coordinates Yes
Has disorder Yes
Has Fobs No

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