Information card for entry 7027128

Structure parameters

• Formula: C26 H28 Zr
• Calculated formula: C26 H28 Zr
• SMILES: [Zr]12345678(C)([c]9([cH]4[cH]3[cH]2[cH]19)Cc1ccccc1)(C)[c]1([cH]5[cH]6[cH]7[cH]81)Cc1ccccc1
• Title of publication: Cationic zirconocene complexes with benzyl and Si(SiMe3)3 substituted cyclopentadienyl ligands
• Authors of publication: Bochmann, Manfred; Green, Malcolm L. H.; Powell, Annie K.; Saßmannshausen, Jörg; Triller, Michael U.; Wocadlo, Sigrid
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 43
• a: 9.857 ± 0.002 Å
• b: 13.365 ± 0.003 Å
• c: 8.244 ± 0.002 Å
• α: 103.48 ± 0.02°
• β: 101.19 ± 0.02°
• γ: 87.95 ± 0.02°
• Cell volume: 1036 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for all reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.0568
• Goodness-of-fit parameter for all reflections: 1.012
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No