Information card for entry 7117545

Structure parameters

• Formula: C42 H20 F16 N2 O20 Sr3
• Calculated formula: C42 H20 F16 N2 O20 Sr3
• SMILES: C(=O)(c1c(F)c(F)c(c(c1C(=O)[O-])F)F)[O-].[Sr+2].c1(F)c(C(=O)[O-])c(c(c(c1F)F)F)C(=O)[O-].O.O.[Sr+2].c1cc[nH+]cc1.C(=O)(c1c(c(c(c(c1C(=O)[O-])F)F)F)F)[O-].[Sr+2].C(=O)(c1c(c(c(c(c1C(=O)[O-])F)F)F)F)[O-].O.O.c1cccc[nH+]1
• 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: 32.076 ± 0.003 Å
• b: 6.1638 ± 0.0003 Å
• c: 11.5618 ± 0.0007 Å
• α: 90°
• β: 97.569 ± 0.007°
• γ: 90°
• Cell volume: 2266 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0838
• Weighted residual factors for significantly intense reflections: 0.213
• Weighted residual factors for all reflections included in the refinement: 0.219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No