Information card for entry 4312515

Structure parameters

• Formula: C35 H46 Cl2 Mn N4 O13
• Calculated formula: C35 H46 Cl2 Mn N4 O13
• SMILES: [Mn]12([OH]C)([OH]C)([OH]C)[n]3ccccc3C[N]1(Cc1[n]2c(ccc1)c1ccccc1)Cc1nc(ccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].OC.OC
• Title of publication: First Row Divalent Transition Metal Complexes of Aryl-Appended Tris((pyridyl)methyl)amine Ligands: Syntheses, Structures, Electrochemistry, and Hydroxamate Binding Properties
• Authors of publication: Magdalena M. Makowska-Grzyska; Ewa Szajna; Crystal Shipley; Atta M. Arif; Michael H. Mitchell; Jason A. Halfen; Lisa M. Berreau
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7472 - 7488
• a: 10.8211 ± 0.0002 Å
• b: 14.0027 ± 0.0003 Å
• c: 15.1617 ± 0.0004 Å
• α: 96.8521 ± 0.0008°
• β: 107.562 ± 0.0009°
• γ: 110.317 ± 0.0013°
• Cell volume: 1988.48 ± 0.08 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 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: 0.072
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1444
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No