Information card for entry 4075382

Structure parameters

• Formula: C50 H58 Cl2 O8 Ti2
• Calculated formula: C50 H58 Cl2 O8 Ti2
• SMILES: c1(ccc(cc1)C)[O]1[Ti](Oc2ccc(cc2)C)(Oc2ccc(cc2)C)([O]2CCCC2)(Cl)[O](c2ccc(cc2)C)[Ti]1(Oc1ccc(cc1)C)(Oc1ccc(cc1)C)([O]1CCCC1)Cl
• 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: 11.975 ± 0.0004 Å
• b: 23.7536 ± 0.0007 Å
• c: 8.4337 ± 0.0002 Å
• α: 90°
• β: 92.273 ± 0.003°
• γ: 90°
• Cell volume: 2397.07 ± 0.12 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0369
• Residual factor for significantly intense reflections: 0.0298
• Weighted residual factors for significantly intense reflections: 0.0822
• Weighted residual factors for all reflections included in the refinement: 0.0847
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No