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Information card for entry 7117543
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 7117543.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C8 F4 O4 Rb |
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Calculated formula | C8 F4 O4 Rb |
SMILES | C(=O)(c1c(c(F)c(C(=O)[O-])c(c1F)F)F)[O-].[Rb+] |
Title of publication | Metal-organic fireworks: MOFs as integrated structural scaffolds for pyrotechnic materials |
Authors of publication | L. H. Blair; A. Colakel; R. M. Vrcelj; I. Sinclair; S. J. Coles |
Journal of publication | Chem.Commun. |
Year of publication | 2015 |
Journal volume | 51 |
Pages of publication | 12185 |
a | 9.2821 ± 0.0007 Å |
b | 9.7189 ± 0.0007 Å |
c | 10.9837 ± 0.0008 Å |
α | 90° |
β | 110.34 ± 0.005° |
γ | 90° |
Cell volume | 929.08 ± 0.12 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | I 1 2/a 1 |
Hall space group symbol | -I 2ya |
Residual factor for all reflections | 0.0837 |
Residual factor for significantly intense reflections | 0.0802 |
Weighted residual factors for significantly intense reflections | 0.185 |
Weighted residual factors for all reflections included in the refinement | 0.19 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.098 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71075 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7117543.html
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Users of the data should acknowledge the original authors of the
structural data.