Information card for entry 1551218

Structure parameters

• Formula: C82 H171 N5 O36 Ti10
• Calculated formula: C82 H170 N5 O36 Ti10
• Title of publication: Ligand-directed assembly engineering of trapezoidal {Ti₅} building blocks stabilized by dimethylglyoxime.
• Authors of publication: Ding, Qing-Rong; Xu, Gui-Lan; Zhang, Lei; Zhang, Jian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9916 - 9919
• a: 12.2992 ± 0.001 Å
• b: 14.3904 ± 0.0015 Å
• c: 19.0996 ± 0.0017 Å
• α: 85.923 ± 0.008°
• β: 85.061 ± 0.007°
• γ: 66.484 ± 0.009°
• Cell volume: 3085.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1869
• Residual factor for significantly intense reflections: 0.1334
• Weighted residual factors for significantly intense reflections: 0.376
• Weighted residual factors for all reflections included in the refinement: 0.447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No