Information card for entry 4072201

Structure parameters

• Common name: Compound 12, C2H4(Flu)(5,6-C3H6-2-2MeInd)Hf(Cl)CH2SiMe3
• Chemical name: (chloro)(9-[2-(2-methyl-5,6,7-trihydroindacen-1-yl)ethyl]-fluorenyl) (trimethylsilylmethyl)hafnium
• Formula: C32 H35 Cl Hf Si
• Calculated formula: C32 H35 Cl Hf Si
• SMILES: [Hf]123456789(Cl)(C[Si](C)(C)C)[c]%10([c]%111[c]2(cccc%11)[c]13[c]4%10cccc1)CC[c]15[c]6([cH]7[c]28cc3c(CCC3)c[c]912)C
• Title of publication: Formation and Structures of Hafnocene Complexes in MAO- and AlBui3/CPh3[B(C6F5)4]-Activated Systems
• Authors of publication: Bryliakov, Konstantin P.; Talsi, Evgenii P.; Voskoboynikov, Alexander Z.; Lancaster, Simon J.; Bochmann, Manfred
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 23
• Pages of publication: 6333
• a: 17.2434 ± 0.0006 Å
• b: 10.037 ± 0.0003 Å
• c: 17.8692 ± 0.0005 Å
• α: 90°
• β: 116.194 ± 0.002°
• γ: 90°
• Cell volume: 2775.06 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No