Information card for entry 7046233

Structure parameters

• Formula: C69 H100 K2 O9 Ti
• Calculated formula: C69 H100 K2 O9 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: 17.8325 ± 0.0003 Å
• b: 18.9575 ± 0.0004 Å
• c: 40.311 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13627.5 ± 0.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1216
• Residual factor for significantly intense reflections: 0.0716
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No