Information card for entry 8102652

Structure parameters

• Chemical name: 1,1'-Bis(((1<i>R</i>,2<i>S</i>,5<i>R</i>)-2-isopropyl-5-methylcyclohexyl) cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1- hafnacycloprop-2-ene hexane solvate (1:0.5), C~41~H~73~HfPSi~2~ 0.5 C~6~H~14~
• Formula: C44 H80 Hf P Si2
• Calculated formula: C44 H80 Hf P Si2
• Title of publication: Crystal structure of 1-bis(((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl)cyclopentadienyl)-1-trimethylphosphine-2,3-bis(trimethylsilyl)-1-hafnacycloprop-2-ene — hexane (1:0.5), (HfC8H18Si2)(C15H22)2(PC3H9) · 0.5C6H14
• Authors of publication: Marcus Klahn; Anke Spannenberg; Uwe Rosenthal
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2010
• Journal volume: 225
• Journal issue: 2
• Pages of publication: 262
• a: 14.96343 ± 0.00017 Å
• b: 14.96343 ± 0.00017 Å
• c: 44.927 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10059.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.0724
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No