Information card for entry 4332370

Structure parameters

• Formula: C7 H15 Cs N2 O8
• Calculated formula: C7 H15 Cs N2 O8
• SMILES: C(=O)(Cn1c[n+](CC(=O)[O-])cc1)[O-].[Cs+].O.O.O.O
• Title of publication: Metal−Organic Frameworks Derived from Imidazolium Dicarboxylates and Group I and II Salts
• Authors of publication: Fei, Zhaofu; Geldbach, Tilmann J.; Scopelliti, Rosario; Dyson, Paul J.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 16
• Pages of publication: 6331 - 6337
• a: 12.4238 ± 0.001 Å
• b: 5.1394 ± 0.0004 Å
• c: 10.2685 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 655.65 ± 0.09 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 5
• Space group number: 26
• Hermann-Mauguin space group symbol: P m c 21
• Hall space group symbol: P 2c -2
• Residual factor for all reflections: 0.0159
• Residual factor for significantly intense reflections: 0.0159
• Weighted residual factors for significantly intense reflections: 0.0406
• Weighted residual factors for all reflections included in the refinement: 0.0406
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No