Information card for entry 7031913

Structure parameters

• Formula: C5 H13 Mn N2 O9.5
• Calculated formula: C5 H13 Mn N2 O9.5
• SMILES: [Mn]1([OH2])([OH2])([OH2])([OH2])OC(=O)c2cc(C(=O)[O-])[nH][n]12.O.O
• Title of publication: The role of nano-sized manganese oxides in the oxygen-evolution reactions by manganese complexes: towards a complete picture.
• Authors of publication: Najafpour, Mohammad Mahdi; Hołyńska, Małgorzata; Shamkhali, Amir Nasser; Kazemi, Sayed Habib; Hillier, Warwick; Amini, Emad; Ghaemmaghami, M.; Jafarian Sedigh, Davood; Nemati Moghaddam, Atefeh; Mohamadi, Rahim; Zaynalpoor, Sasan; Beckmann, Katrin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 34
• Pages of publication: 13122
• a: 20.318 ± 0.004 Å
• b: 11.781 ± 0.003 Å
• c: 9.576 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2292.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections included in the refinement: 0.0404
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No