Information card for entry 4313325

Structure parameters

• Formula: C42 H48 Cl2 Mn2 N8 O10
• Calculated formula: C42 H48 Cl2 Mn2 N8 O10
• SMILES: [N]123[Mn]45(O[Mn]6785([N](Cc5cccc(C)[n]65)(Cc5cccc(C)[n]75)Cc5cccc(C)[n]85)O4)([n]4c(C)cccc4C1)([n]1c(C)cccc1C2)[n]1c(C)cccc1C3.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Dioxo-Bridged Dinuclear Manganese(III) and -(IV) Complexes of Pyridyl Donor Tripod Ligands: Combined Effects of Steric Substitution and Chelate Ring Size Variations on Structural, Spectroscopic, and Electrochemical Properties
• Authors of publication: Yilma Gultneh; Teshome B. Yisgedu; Yohannes T. Tesema; Ray J. Butcher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 1857 - 1867
• a: 9.0081 ± 0.0007 Å
• b: 11.5356 ± 0.001 Å
• c: 11.8101 ± 0.001 Å
• α: 65.628 ± 0.006°
• β: 80.426 ± 0.007°
• γ: 86.505 ± 0.007°
• Cell volume: 1102.26 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0386
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No