Information card for entry 4308939

Structure parameters

• Formula: C24 H21 Cl Mn2 N5 O2
• Calculated formula: C24 H21 Cl Mn2 N5 O2
• SMILES: [Mn]123(Cl)[n]4n([Mn]56789(C#[O])(C#[O]))c(cc4C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)C[c]15[cH]6[cH]7[cH]8[cH]19
• Title of publication: Redox Site Confinement in Highly Unsymmetric Dimanganese Complexes
• Authors of publication: Tianlu Sheng; Sebastian Dechert; Isabella Hyla-Kryspin; Rainer F. Winter; Franc Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3863 - 3874
• a: 14.6104 ± 0.0004 Å
• b: 9.192 ± 0.0003 Å
• c: 17.5677 ± 0.0006 Å
• α: 90°
• β: 100.204 ± 0.002°
• γ: 90°
• Cell volume: 2322 ± 0.13 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0272
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No