Information card for entry 7013905

Structure parameters

• Common name: Manganese(ii)-di-chloro-2-((bis(pyridin-2- ylmethyl)amino)methyl)-4-nitrophenol
• Chemical name: Manganese(II)-di-chloro-2-((bis(pyridin-2-ylmethyl)amino)methyl)-4-nitrophenol
• Formula: C20 H22 Cl2 Mn N4 O4
• Calculated formula: C20 H22 Cl2 Mn N4 O4
• SMILES: [Mn]12(Cl)(Cl)[N](Cc3[n]1cccc3)(Cc1[n]2cccc1)Cc1c(O)ccc(N(=O)=O)c1.OC
• 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: 7.4619 ± 0.0003 Å
• b: 9.4354 ± 0.0003 Å
• c: 16.1153 ± 0.0005 Å
• α: 97.941 ± 0.002°
• β: 92.761 ± 0.002°
• γ: 98.723 ± 0.002°
• Cell volume: 1107.96 ± 0.07 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.148
• Weighted residual factors for all reflections included in the refinement: 0.1539
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No