Information card for entry 7011427

Structure parameters

• Formula: C50 H63.5 Cl N8 Ni4 O27.25
• Calculated formula: C50 H62.5 Cl N8 Ni4 O27.25
• 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: 11.943 ± 0.003 Å
• b: 24.582 ± 0.008 Å
• c: 21.892 ± 0.009 Å
• α: 90°
• β: 100.6 ± 0.01°
• γ: 90°
• Cell volume: 6317 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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 all reflections: 0.1391
• Residual factor for significantly intense reflections: 0.0738
• Weighted residual factors for significantly intense reflections: 0.1875
• Weighted residual factors for all reflections included in the refinement: 0.2259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No