Information card for entry 4506694

Structure parameters

• Formula: C20 H22 Mn N4 O7
• Calculated formula: C20 H22 Mn N4 O7
• SMILES: [Mn]1(OC(=O)C(C(=O)O1)Cc1ccccc1)([n]1ccc(cc1)N=Nc1ccncc1)([OH2])([OH2])[OH2]
• Title of publication: Pillaring Role of 4,4′-Azobis(pyridine) in Substituted Malonate-Containing Manganese(II) Complexes: Syntheses, Crystal Structures, and Magnetic Properties
• Authors of publication: Déniz, Mariadel; Hernández-Rodríguez, Irene; Pasán, Jorge; Fabelo, Oscar; Cañadillas-Delgado, Laura; Yuste, Consuelo; Julve, Miguel; Lloret, Francesc; Ruiz-Pérez, Catalina
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4505
• a: 5.939 ± 0.0012 Å
• b: 10.612 ± 0.002 Å
• c: 16.723 ± 0.003 Å
• α: 80.24 ± 0.03°
• β: 89.46 ± 0.03°
• γ: 84.87 ± 0.03°
• Cell volume: 1034.5 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0683
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.184
• Weighted residual factors for all reflections included in the refinement: 0.1855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.738 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No