Information card for entry 4068576

Structure parameters

• Formula: C38 H64 Si2 Ti
• Calculated formula: C38 H64 Si2 Ti
• SMILES: [C]1(#[C]([Ti]234567891([c]1([cH]5[cH]4[cH]3[cH]21)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[c]1([cH]9[cH]8[cH]7[cH]61)[C@H]1[C@@H](CC[C@H](C1)C)C(C)C)[Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Chiral Group 4 Metallocene Alkyne Complexes: (η5-menthyl-C5H4)2M(η2-Me3SiC2SiMe3), M = Ti, Zr⊥
• Authors of publication: Klahn, Marcus; Baumann, Wolfgang; Arndt, Perdita; Burlakov, Vladimir V.; Schareina, Thomas; Spannenberg, Anke; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 3
• Pages of publication: 915
• a: 15.75 ± 0.003 Å
• b: 9.6744 ± 0.0019 Å
• c: 15.032 ± 0.003 Å
• α: 90°
• β: 121.43 ± 0.03°
• γ: 90°
• Cell volume: 1954.4 ± 0.9 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.902
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No