Information card for entry 7703120

Structure parameters

• Formula: C43 H60 O4 Ti
• Calculated formula: C43 H60 O4 Ti
• Title of publication: Synthesis and structures of titanium complexes bearing tetradentate tripodal [O₂XC] ligands (X = C, P).
• Authors of publication: Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 1
• Pages of publication: 27 - 30
• a: 9.8645 ± 0.0002 Å
• b: 17.6446 ± 0.0005 Å
• c: 21.7498 ± 0.0005 Å
• α: 90°
• β: 89.382 ± 0.002°
• γ: 90°
• Cell volume: 3785.44 ± 0.16 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No