Information card for entry 7046232

Structure parameters

• Formula: C79 H120 K2 N2 O11 Ti
• Calculated formula: C79 H120 K2 N2 O11 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: 22.0849 ± 0.0006 Å
• b: 14.9807 ± 0.0004 Å
• c: 47.3336 ± 0.0012 Å
• α: 90°
• β: 91.773 ± 0.002°
• γ: 90°
• Cell volume: 15652.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1518
• Residual factor for significantly intense reflections: 0.0766
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1535
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No