Information card for entry 7011423

Structure parameters

• Formula: C50 H49 Cl Mn4 N8 O20
• Calculated formula: C50 H49 Cl Mn4 N8 O20
• 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: 12.927 ± 0.008 Å
• b: 14.245 ± 0.01 Å
• c: 15.943 ± 0.007 Å
• α: 89.84 ± 0.01°
• β: 72.58 ± 0.01°
• γ: 86.02 ± 0.01°
• Cell volume: 2794 ± 3 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: 0.0701
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No