Information card for entry 4312514

Structure parameters

• Formula: C34 H42 Cl2 Mn N4 O12
• Calculated formula: C34 H42 Cl2 Mn N4 O12
• 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
• 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: 13.5366 ± 0.0002 Å
• b: 16.8549 ± 0.0002 Å
• c: 17.4487 ± 0.0003 Å
• α: 90°
• β: 104.916 ± 0.0005°
• γ: 90°
• Cell volume: 3846.92 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No