Information card for entry 7012698

Structure parameters

• Formula: C13 H12 Mn N2 O5
• Calculated formula: C13 H10 Mn N2 O5
• Title of publication: Crystal structures and magnetic properties of two- and three-dimensional malonato-bridged manganese(II) complexes
• Authors of publication: Yolanda Rodríguez-Martín; María Hernández-Molina; Joaquín Sanchiz; Catalina Ruiz-Pérez; Francesc Lloret; Miguel Julve
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 11
• Pages of publication: 2359 - 2365
• a: 7.254 ± 0.001 Å
• b: 7.727 ± 0.001 Å
• c: 24.413 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1368.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P 21 c n
• Hall space group symbol: P -2n 2a
• Residual factor for all reflections: 0.163
• Residual factor for significantly intense reflections: 0.0956
• Weighted residual factors for significantly intense reflections: 0.2844
• Weighted residual factors for all reflections included in the refinement: 0.3615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.45
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No