Information card for entry 7053670

Structure parameters

• Formula: C9 H10 Mn N O5
• Calculated formula: C9 H10 Mn N O5
• Title of publication: Metal-organic coordination frameworks based on mixed methylmalonate and 4,4′-bipiridine ligands: synthesis, crystal structure and magnetic properties
• Authors of publication: Déniz, Mariadel; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Lloret, Francesc; Julve, Miguel; Ruiz-Pérez, Catalina
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2515
• a: 7.4182 ± 0.0004 Å
• b: 19.4547 ± 0.0009 Å
• c: 7.4673 ± 0.0003 Å
• α: 90°
• β: 91.812 ± 0.005°
• γ: 90°
• Cell volume: 1077.13 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No