Information card for entry 1500037

Structure parameters

• Formula: C12 H24 Mn N10 O10
• Calculated formula: C12 H24 Mn N10 O10
• SMILES: [Mn]([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].O=C1N(C)c2nn[n-]c2C(=O)N1C.O=C1N(C)c2nn[n-]c2C(=O)N1C
• Authors of publication: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas; Antonio Rodríguez-Diéguez
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2009
• Journal volume: 362
• Pages of publication: 1553 - 1558
• a: 7.7462 ± 0.0014 Å
• b: 8.0979 ± 0.0015 Å
• c: 9.9361 ± 0.0018 Å
• α: 74.563 ± 0.003°
• β: 80.102 ± 0.003°
• γ: 63.533 ± 0.003°
• Cell volume: 536.79 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0382
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No