Information card for entry 4072135

Structure parameters

• Formula: C30 H46 Cl2 Hf
• Calculated formula: C30 H46 Cl2 Hf
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Hf]16782345([c]2([cH]8[cH]7[cH]6[cH]12)[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(Cl)Cl)[C@@H]1C[C@@H](CC[C@H]1C(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: 15.3372 ± 0.001 Å
• b: 15.3372 ± 0.001 Å
• c: 6.4757 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1523.28 ± 0.17 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: 0.0345
• Residual factor for significantly intense reflections: 0.0145
• Weighted residual factors for significantly intense reflections: 0.0238
• Weighted residual factors for all reflections included in the refinement: 0.0254
• Goodness-of-fit parameter for all reflections included in the refinement: 0.829
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No