Information card for entry 7211973

Structure parameters

• Common name: F-MOF 1
• Formula: C76 H47 Cu F18 N4 O15
• Calculated formula: C76 H47 Cu F18 N4 O15
• SMILES: c1cc(ccc1C(c1ccc(cc1)C(=O)[O-])(C(F)(F)F)C(F)(F)F)C(=O)O.C(c1ccc(cc1)C(=O)O)(c1ccc(cc1)C(=O)O[Cu]12([n]3c4c5c(ccc[n]15)ccc4ccc3)[n]1cccc3c1c1c(cc3)ccc[n]21)(C(F)(F)F)C(F)(F)F.c1(ccc(cc1)C(c1ccc(cc1)C(=O)O)(C(F)(F)F)C(F)(F)F)C(=O)O.C(=O)O.O
• Title of publication: Synthesis and structural comparisons of five new fluorinated metal organic frameworks (F-MOFs)
• Authors of publication: Pachfule, Pradip; Dey, Chandan; Panda, Tamas; Banerjee, Rahul
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 5
• Pages of publication: 1600
• a: 19.358 ± 0.005 Å
• b: 13.756 ± 0.004 Å
• c: 26.012 ± 0.007 Å
• α: 90°
• β: 99.951 ± 0.004°
• γ: 90°
• Cell volume: 6822 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0533
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1186
• Weighted residual factors for all reflections included in the refinement: 0.1283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No