Information card for entry 7117542

Structure parameters

• Formula: C8 Cs F4 O4
• Calculated formula: C8 Cs F4 O4
• SMILES: C(=O)(c1c(F)c(c(C(=O)[O-])c(c1F)F)F)[O-].[Cs+]
• 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: 9.3605 ± 0.0007 Å
• b: 9.6918 ± 0.0007 Å
• c: 11.0752 ± 0.0007 Å
• α: 90°
• β: 108.566 ± 0.005°
• γ: 90°
• Cell volume: 952.45 ± 0.12 ų
• 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: 0.0214
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0559
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No