Information card for entry 4300004

Structure parameters

• Formula: C22 H33 Cl2 Mn N6 O5
• Calculated formula: C22 H33 Cl2 Mn N6 O8
• 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: 11.455 ± 0.004 Å
• b: 15.037 ± 0.006 Å
• c: 15.887 ± 0.004 Å
• α: 90°
• β: 96.48 ± 0.02°
• γ: 90°
• Cell volume: 2719 ± 1.6 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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 significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.108
• Goodness-of-fit parameter for significantly intense reflections: 4.17
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKalpha
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No