Information card for entry 4075384

Structure parameters

• Formula: C50 H38 O3 Ti
• Calculated formula: C50 H38 O3 Ti
• SMILES: [Ti]1234(Oc5ccc(cc5)C)(Oc5ccc(cc5)C)(Oc5ccc(cc5)C)[c]56[c]1([c]12[c]3([cH]45)c2c(c3c1cccc3)cccc2)c1c(c2c6cccc2)cccc1
• Title of publication: Tetrabenzo[a,c,g,i]fluorenyllithium and η5-Tetrabenzo[a,c,g,i]fluorenyltitanium Complexes
• Authors of publication: Schröder, Kai; Haase, Detlev; Saak, Wolfgang; Lützen, Arne; Beckhaus, Rüdiger; Wichmann, Silke; Schellenberg, Jürgen
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 16
• Pages of publication: 3824
• a: 10.0203 ± 0.0005 Å
• b: 13.5219 ± 0.0008 Å
• c: 14.6028 ± 0.0008 Å
• α: 87.455 ± 0.007°
• β: 75.017 ± 0.006°
• γ: 77.62 ± 0.006°
• Cell volume: 1866.75 ± 0.19 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0823
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No