Information card for entry 4506693

Structure parameters

• Formula: C34 H40 Mn2 N8 O12
• Calculated formula: C34 H36 Mn2 N8 O12
• 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: 12.947 ± 0.003 Å
• b: 13.527 ± 0.003 Å
• c: 14.019 ± 0.003 Å
• α: 92.85 ± 0.03°
• β: 114.3 ± 0.03°
• γ: 112.22 ± 0.03°
• Cell volume: 2009.2 ± 1.2 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: 0.1291
• Residual factor for significantly intense reflections: 0.1072
• Weighted residual factors for significantly intense reflections: 0.2967
• Weighted residual factors for all reflections included in the refinement: 0.3212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.258
• Diffraction radiation wavelength: 0.738 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No