Information card for entry 7053663

Structure parameters

• Formula: C9 H8 Cl0.1 Fe N O4.9
• Calculated formula: C9 H8 Cl0.101 Fe N O4.899
• 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: 7.3642 ± 0.0003 Å
• b: 19.6916 ± 0.0008 Å
• c: 7.3274 ± 0.0003 Å
• α: 90°
• β: 88.25 ± 0.003°
• γ: 90°
• Cell volume: 1062.07 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0497
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No