Information card for entry 7013906

Structure parameters

• Common name: Manganese(iii)-di-chloro-2-((bis(pyridin-2- ylmethyl)amino)methyl)-4-nitrophenol
• Chemical name: Manganese(III)-di-chloro-2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-nitrophenol
• Formula: C19 H17 Cl2 Mn N4 O3
• Calculated formula: C19 H17 Cl2 Mn N4 O3
• SMILES: [Mn]123(Cl)(Cl)Oc4c(C[N]1(Cc1[n]2cccc1)Cc1[n]3cccc1)cc(N(=O)=O)cc4
• Title of publication: Unique example of flexible phenol coordination in mononuclear manganese compounds.
• Authors of publication: Reddig, Nicole; Pursche, Daniel; Rompel, Annette
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 9
• Pages of publication: 1474 - 1480
• a: 20.623 ± 0.004 Å
• b: 7.902 ± 0.002 Å
• c: 12.378 ± 0.002 Å
• α: 90°
• β: 98.7 ± 0.03°
• γ: 90°
• Cell volume: 1993.9 ± 0.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0672
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No