Information card for entry 4335880

Structure parameters

• Formula: C15 H12 N Na O5
• Calculated formula: C15 H10 N Na O5
• SMILES: C1(=O)c2c3c(C(=O)N1[C@H](C(=O)[O-])C)cccc3ccc2.[Na+].O
• Title of publication: Homochiral Helical Metal-Organic Frameworks of Group 1 Metals
• Authors of publication: Daniel L. Reger; Andrew Leitner; Mark D. Smith; T. Thao Tran; P. Shiv Halasyamani
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10041 - 10051
• a: 6.958 ± 0.003 Å
• b: 11.856 ± 0.005 Å
• c: 15.433 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1273.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0704
• Weighted residual factors for significantly intense reflections: 0.178
• Weighted residual factors for all reflections included in the refinement: 0.1816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No