Information card for entry 7012661

Structure parameters

• Formula: C36 H26 Br2 O2 Ti
• Calculated formula: C36 H26 Br2 O2 Ti
• Title of publication: The isolation and structure of titanium bromide compounds containing 2,6-diphenylphenoxide ligation; terminal and bridging ligand effects on Ti‒Ti interactions
• Authors of publication: Eade, Gillian F.; Fanwick, Phillip E.; Rothwell, Ian P.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 1061
• a: 10.4945 ± 0.0003 Å
• b: 15.3372 ± 0.0004 Å
• c: 9.5602 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1538.77 ± 0.11 ų
• Cell temperature: 149 K
• Ambient diffraction temperature: 149 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 0.983
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MO-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No