Information card for entry 7011426

Structure parameters

• Formula: C50 H49 Cd4 Cl N8 O20
• Calculated formula: C50 H49 Cd4 Cl 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: 13.065 ± 0.004 Å
• b: 14.315 ± 0.008 Å
• c: 16.082 ± 0.008 Å
• α: 90.53°
• β: 108.1°
• γ: 93.94 ± 0.01°
• Cell volume: 2851 ± 2 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: 0.1223
• Residual factor for significantly intense reflections: 0.0896
• Weighted residual factors for significantly intense reflections: 0.2375
• Weighted residual factors for all reflections included in the refinement: 0.2674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No