Information card for entry 7031911

Structure parameters

• Formula: C24 H24 Mn N4 O6
• Calculated formula: C24 H24 Mn N4 O6
• SMILES: [Mn]1234(OC(=O)C)([O]=C(O1)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3c(ccc1)c1[n]4cccc1.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: 16.852 ± 0.003 Å
• b: 9.292 ± 0.002 Å
• c: 15.791 ± 0.003 Å
• α: 90°
• β: 114.57 ± 0.03°
• γ: 90°
• Cell volume: 2248.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0565
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.0383
• Weighted residual factors for all reflections included in the refinement: 0.0397
• Goodness-of-fit parameter for all reflections included in the refinement: 0.813
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No