Information card for entry 4069287

Structure parameters

• Formula: C64 H52 Hf2
• Calculated formula: C64 H52 Hf2
• SMILES: C1(=C2C(=C(c3ccccc3)[Hf]3456789%101([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]%101)C1=C(c3ccccc3)[Hf]3456789%10(C(=C21)c1ccccc1)([cH]1[cH]6[cH]5[cH]4[cH]31)[cH]1[cH]7[cH]8[cH]9[cH]%101)c1ccccc1.c1ccccc1.c1ccccc1
• Title of publication: Synthesis and Isolation of Di-n-butylhafnocene and Its Application as a Versatile Starting Material for the Synthesis of New Hafnacycles
• Authors of publication: Burlakov, Vladimir V.; Beweries, Torsten; Bogdanov, Vyacheslav S.; Arndt, Perdita; Baumann, Wolfgang; Petrovskii, Pavel V.; Spannenberg, Anke; Lyssenko, Konstantin A.; Shur, Vladimir B.; Rosenthal, Uwe
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 9
• Pages of publication: 2864
• a: 7.8491 ± 0.0002 Å
• b: 26.7157 ± 0.0005 Å
• c: 11.3534 ± 0.0003 Å
• α: 90°
• β: 102.212 ± 0.002°
• γ: 90°
• Cell volume: 2326.87 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0231
• Residual factor for significantly intense reflections: 0.0173
• Weighted residual factors for significantly intense reflections: 0.0378
• Weighted residual factors for all reflections included in the refinement: 0.0388
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No