Information card for entry 4072134

Structure parameters

• Formula: C42 H54 Cl2 Zr
• Calculated formula: C42 H54 Cl2 Zr
• SMILES: [c]12([cH]3[cH]4[cH]5[cH]1[Zr]16782345([c]2([cH]1[cH]6[cH]7[cH]82)[C@H]1[C@@H](CC[C@H](C1)C)C(C)(C)c1ccccc1)(Cl)Cl)[C@H]1[C@@H](CC[C@H](C1)C)C(C)(c1ccccc1)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: 13.362 ± 0.003 Å
• b: 25.112 ± 0.005 Å
• c: 6.5155 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2186.3 ± 0.8 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 0.928
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No