Information card for entry 4072136

Structure parameters

• Formula: C30 H46 F2 Ti
• Calculated formula: C30 H46 F2 Ti
• SMILES: [cH]12[c]3([cH]4[cH]5[cH]1[Ti]16782345([cH]2[c]8([cH]7[cH]6[cH]12)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)(F)F)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C
• Title of publication: Menthyl-Substituted Group 4 Metallocene Dihalides
• Authors of publication: Klahn, Marcus; Arndt, Perdita; Spannenberg, Anke; Gansäuer, Andreas; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5846
• a: 15.3556 ± 0.0015 Å
• b: 15.3556 ± 0.0015 Å
• c: 5.7986 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1367.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 77
• Hermann-Mauguin space group symbol: P 42
• Hall space group symbol: P 4c
• Residual factor for all reflections: 0.1071
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No