Information card for entry 7013910

Structure parameters

• Common name: Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-4-bromophenolat)
• Chemical name: Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-4-bromophenolat)
• Formula: C19 H18 Br3 Mn N3 O
• Calculated formula: C19 H18 Br3 Mn N3 O
• SMILES: [Mn]123(Br)(Br)[N](Cc4[n]1cccc4)(Cc1[n]2cccc1)Cc1cc(ccc1[OH]3)Br
• 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: 13.523 ± 0.003 Å
• b: 17.092 ± 0.003 Å
• c: 18.23 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4213.6 ± 1.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1201
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.134
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No