Information card for entry 7118126

Structure parameters

• Common name: MOF-705 as-synthesized
• Formula: C17 H18 N2 Na4 O12
• Calculated formula: C17 H18 N2 Na4 O12
• SMILES: [Na+].[Na+].[Na+].[Na+].[O-]C(=O)C[C@H](NC(=O)c1ccc(C(=O)N[C@@H](CC(=O)[O-])C(=O)[O-])cc1)C(=O)[O-].O.OC
• Title of publication: l-Aspartate links for stable sodium metal-organic frameworks.
• Authors of publication: Siman, Peter; Trickett, Christopher A.; Furukawa, Hiroyasu; Yaghi, Omar M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 98
• Pages of publication: 17463 - 17466
• a: 11.8894 ± 0.0004 Å
• b: 5.2299 ± 0.0002 Å
• c: 17.4663 ± 0.0005 Å
• α: 90°
• β: 97.279 ± 0.002°
• γ: 90°
• Cell volume: 1077.31 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No