Information card for entry 4075379

Structure parameters

• Formula: C59 H36 Cl2
• Calculated formula: C59 H36 Cl2
• SMILES: C1(c2c(c3c1c1ccccc1c1ccccc31)c1c(c3c2cccc3)cccc1)C1c2c(c3c1c1ccccc1c1ccccc31)c1c(c3c2cccc3)cccc1.ClCCl
• 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: 13.8807 ± 0.0008 Å
• b: 20.0576 ± 0.0008 Å
• c: 14.8992 ± 0.001 Å
• α: 90°
• β: 110.98 ± 0.007°
• γ: 90°
• Cell volume: 3873.1 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0763
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 0.872
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No