Information card for entry 4300005

Structure parameters

• Formula: C39 H60 Cl4 Mn2 N10 O11
• Calculated formula: C39 H58 Cl4 Mn2 N10 O11
• SMILES: [Mn]1234(Cl)[N]5(CC[N]1(CC[N]2(CC5)Cc1[n]3cccc1)Cc1[n]4cccc1)CCC[N]12[Mn]345(Cl)[N](CC1)(CC[N]3(CC2)Cc1[n]5cccc1)Cc1[n]4cccc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O.O
• Title of publication: Structural, Spectroscopic, and Electrochemical Studies of Binuclear Manganese(II) Complexes of Bis(pentadentate) Ligands Derived from Bis(1,4,7-triazacyclononane) Macrocycles
• Authors of publication: Suzanne J. Brudenell; Leone Spiccia; Alan M. Bond; Gary D. Fallon; David C. R. Hockless; George Lazarev; Peter J. Mahon; Edward R. T. Tiekink
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 881 - 892
• a: 13.334 ± 0.002 Å
• b: 19.926 ± 0.002 Å
• c: 18.799 ± 0.001 Å
• α: 90°
• β: 104.328 ± 0.008°
• γ: 90°
• Cell volume: 4839.4 ± 0.9 ų
• Cell temperature: 183.2 K
• Ambient diffraction temperature: 183.2 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: 0.1574
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for all reflections: 0.0712
• Weighted residual factors for significantly intense reflections: 0.0605
• Goodness-of-fit parameter for all reflections: 1.615
• Goodness-of-fit parameter for significantly intense reflections: 2.057
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No