Information card for entry 4321685

Structure parameters

• Formula: C24.5 H47 N3 O11 Ti3
• Calculated formula: C24.498 H44 N3 O11 Ti3
• Title of publication: Isolation and Structural Characterization of Triethanolaminotitanatranes: X-ray Structures of Partial Hydrolysis Condensates
• Authors of publication: Tim Kemmitt; Najeh I. Al-Salim; Graeme J. Gainsford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 6067 - 6071
• a: 10.891 ± 0.002 Å
• b: 12.417 ± 0.003 Å
• c: 12.432 ± 0.003 Å
• α: 81.996 ± 0.003°
• β: 88.815 ± 0.003°
• γ: 73.583 ± 0.002°
• Cell volume: 1596.7 ± 0.6 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.0516
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1229
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No