Information card for entry 7031912

Structure parameters

• Formula: C36 H32 Mn N4 O9
• Calculated formula: C36 H32 Mn N4 O9
• SMILES: [OH2][Mn]12(OC(=O)c3cccc4cccc(C(=O)[O-])c34)([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.O.O.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: 12.731 ± 0.003 Å
• b: 12.876 ± 0.003 Å
• c: 22.096 ± 0.004 Å
• α: 93.88 ± 0.03°
• β: 100 ± 0.03°
• γ: 107.99 ± 0.03°
• Cell volume: 3364.1 ± 1.5 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: 0.0724
• Residual factor for significantly intense reflections: 0.0316
• Weighted residual factors for significantly intense reflections: 0.0376
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.842
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No