Information card for entry 7013908

Structure parameters

• Common name: Manganese(ii)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2- pyridylmethyl) aminomethyl)-4-nitrophenolat)
• Chemical name: Manganese(II)-di-chloro-2-(2-pyridylmethyl)(6-methyl-2-pyridylmethyl) aminomethyl)-4-nitrophenolat)
• Formula: C22 H26 Cl2 Mn N4 O4
• Calculated formula: C22 H26 Cl2 Mn N4 O4
• SMILES: [Mn]12(Cl)(Cl)([OH]CC)[N](Cc3[n]1cccc3)(Cc1[n]2c(ccc1)C)Cc1c(O)ccc(N(=O)=O)c1
• 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: 15.715 ± 0.0007 Å
• b: 9.1986 ± 0.0004 Å
• c: 17.272 ± 0.0007 Å
• α: 90°
• β: 99.04 ± 0.003°
• γ: 90°
• Cell volume: 2465.76 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0968
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1879
• Weighted residual factors for all reflections included in the refinement: 0.2005
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No