Information card for entry 4311932

Structure parameters

• Common name: Bis(nitrilotriethoxy)-benzylidenedi-3,5-di-tert-butyl-2-phenoxy)dititanium(IV) tetramer dipentane octasesqui(dichloromethane) solvate
• Formula: C206.5 H321 Cl17 N8 O32 Ti8
• Calculated formula: C206.5 H321 Cl17 N8 O32 Ti8
• Title of publication: Titanatranes Derailed: Static and Dynamic Triethanolamine Slippage Induced by Polyphenoxide Chelation
• Authors of publication: Aaron G. Maestri; Seth N. Brown
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 6995 - 7004
• a: 27.581 ± 0.002 Å
• b: 30.981 ± 0.002 Å
• c: 28.825 ± 0.002 Å
• α: 90°
• β: 95.741 ± 0.001°
• γ: 90°
• Cell volume: 24507 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.1171
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections: 0.2639
• Weighted residual factors for significantly intense reflections: 0.233
• Goodness-of-fit parameter for all reflections: 1
• Goodness-of-fit parameter for significantly intense reflections: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No