Information card for entry 8102657

Structure parameters

• Chemical name: 1,1-Bis(pentamethylcyclopentadienyl)-(4,4'-di-<i>tert</i>-butyl-bipyridyl)- hafnium(IV) hexane solvate, C~38~H~54~HfN~2~ . 0.5C~6~H~14~
• Formula: C41 H61 Hf N2
• Calculated formula: C41 H61 Hf N2
• Title of publication: Crystal structure of bis(pentamethylcyclopentadienyl)-(4,4'-di-tert-butylbipyridyl)hafnium(IV) — hexane (1:0.5), Hf(C10H15)2(C18H24N2) · 0.5C6H14
• Authors of publication: Torsten Beweries; Anke Spannenberg; Uwe Rosenthal
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 1
• Pages of publication: 188
• a: 13.441 ± 0.0004 Å
• b: 13.9983 ± 0.0006 Å
• c: 21.1996 ± 0.0008 Å
• α: 90°
• β: 98.144 ± 0.003°
• γ: 90°
• Cell volume: 3948.5 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• 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: 0.0671
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1159
• Weighted residual factors for all reflections included in the refinement: 0.1206
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No