Information card for entry 4067406

Structure parameters

• Formula: C32 H28 Cl2 Si Zr
• Calculated formula: C32 H28 Cl2 Si Zr
• SMILES: [Zr]123456789(Cl)(Cl)[c]%10([Si]([c]%115[cH]6[c]7([c]58cccc[c]9%115)Cc5ccccc5)(C)C)[c]1([cH]2[c]13c2c(cc[c]4%101)cccc2)C
• Title of publication: Rotating Benzyl Substituent inansa-Bis(indenyl)zirconocenes Controls Propene Polymerization
• Authors of publication: Puranen, Arto; Linnolahti, Mikko; Piel, Tanja; Elo, Pertti; Mutikainen, Ilpo; Pakkanen, Tapani; Löfgren, Barbro; Aitola, Erkki; Seppälä, Jukka; Leskelä, Markku; Repo, Timo
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 18
• Pages of publication: 4018
• a: 10.5424 ± 0.0007 Å
• b: 11.2813 ± 0.0008 Å
• c: 13.1506 ± 0.001 Å
• α: 95.893 ± 0.003°
• β: 106.903 ± 0.003°
• γ: 112.388 ± 0.004°
• Cell volume: 1342.8 ± 0.18 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.1494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No