Information card for entry 7046235

Structure parameters

• Formula: C77 H110 K2 O8 Ti
• Calculated formula: C77 H110 K2 O8 Ti
• Title of publication: An anionic η²-naphthalene complex of titanium supported by a tripodal [O₃C] ligand and its reactions with dinitrogen, anthracene and THF.
• Authors of publication: Nakanishi, Yusuke; Ishida, Yutaka; Kawaguchi, Hiroyuki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 20
• Pages of publication: 6903 - 6907
• a: 13.6112 ± 0.0009 Å
• b: 35.8757 ± 0.0006 Å
• c: 22.0952 ± 0.0015 Å
• α: 90°
• β: 138.195 ± 0.013°
• γ: 90°
• Cell volume: 7192 ± 2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0954
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1297
• Weighted residual factors for all reflections included in the refinement: 0.1462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No