Information card for entry 7002863

Structure parameters

• Formula: C54 H46 O6 Ti
• Calculated formula: C54 H46 O6 Ti
• Title of publication: Synthesis and characterization of a monomeric octahedral C2-symmetric titanium complex bearing two 3,3′-diphenyl-2,2′-biphenol ligands
• Authors of publication: Diebold, Carine; Mobian, Pierre; Huguenard, Clarisse; Allouche, Lionel; Henry, Marc
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 46
• Pages of publication: 10178 - 10180
• a: 9.9778 ± 0.0003 Å
• b: 10.8481 ± 0.0003 Å
• c: 20.9057 ± 0.0005 Å
• α: 86.959 ± 0.002°
• β: 80.036 ± 0.002°
• γ: 79.613 ± 0.002°
• Cell volume: 2191.62 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1241
• Residual factor for significantly intense reflections: 0.0756
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2475
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No