Information card for entry 7703119

Structure parameters

• Formula: C35 H45 Br Cl2 O3.5 Ti
• Calculated formula: C33 H41 Br Cl2 O3 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: 11.1016 ± 0.0002 Å
• b: 13.3903 ± 0.0003 Å
• c: 24.3259 ± 0.0005 Å
• α: 78.765 ± 0.002°
• β: 80.424 ± 0.002°
• γ: 89.325 ± 0.002°
• Cell volume: 3496.62 ± 0.13 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No