Information card for entry 7011422

Structure parameters

• Formula: C44 H38 Cl4 Mn4 N8 O9
• Calculated formula: C44 H38 Cl4 Mn4 N8 O9
• Title of publication: Synthesis, crystal structures and properties of six cubane-like transition metal complexes of di-2-pyridyl ketone in gem-diol form
• Authors of publication: Ming-Liang Tong; Shao-Liang Zheng; Jian-Xin Shi; Ye-Xiang Tong; Hung Kay Lee; Xiao-Ming Chen
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 8
• Pages of publication: 1727 - 1734
• a: 24.287 ± 0.006 Å
• b: 24.287 ± 0.006 Å
• c: 24.287 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14326 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.128
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No