Information card for entry 4316146

Structure parameters

• Formula: C16 H12 F6 N2 O4
• Calculated formula: C16 H12 F6 N2 O4
• SMILES: [nH+]1ccc(cc1)/C=C/c1cc[nH+]cc1.[O-]C(=O)C(F)(F)F.[O-]C(=O)C(F)(F)F
• Title of publication: Metal-Organic Frameworks Containing a Tetrapyridylcyclobutane Ligand Derived from Isomerization Reaction
• Authors of publication: Abdul Malik Puthan Peedikakkal; Charlene Shi Yun Peh; Lip Lin Koh; Jagadese J. Vittal
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 6775 - 6777
• a: 10.95 ± 0.008 Å
• b: 11.556 ± 0.009 Å
• c: 14.278 ± 0.01 Å
• α: 96.054 ± 0.017°
• β: 93.549 ± 0.016°
• γ: 104.627 ± 0.011°
• Cell volume: 1731 ± 2 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1233
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2382
• Weighted residual factors for all reflections included in the refinement: 0.2659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No