Information card for entry 4065942

Structure parameters

• Formula: C68 H56 B D6 F15 Hf2
• Calculated formula: C68 H62 B F15 Hf2
• SMILES: [B](C#CC(C)(C)C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F.C1([Hf]23456789%10([C]%11=1[C](#CC(C)(C)C)[Hf]1%12%13%14%15%16%17%18%11([C]2#CC(C)(C)C)([cH]2[cH]1[cH]%12[cH]%13[cH]%142)[cH]1[cH]%18[cH]%17[cH]%16[cH]%151)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]%101)C(C)(C)C.c1ccccc1
• Title of publication: Reactions of the Five-Membered Hafnacyclocumulene Cp2Hf(η4-t-Bu-C4-t-Bu) with the Lewis Acids Tris(pentafluorophenyl)borane and Diisobutylaluminum Hydride
• Authors of publication: Burlakov, Vladimir V.; Beweries, Torsten; Kaleta, Katharina; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Spannenberg, Anke; Shur, Vladimir B.; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 10
• Pages of publication: 2367
• a: 10.1365 ± 0.0003 Å
• b: 15.8667 ± 0.0005 Å
• c: 19.3646 ± 0.0006 Å
• α: 83.164 ± 0.003°
• β: 76.599 ± 0.003°
• γ: 89.156 ± 0.003°
• Cell volume: 3007.86 ± 0.17 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0433
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 0.941
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No