Information card for entry 8102659

Structure parameters

• Chemical name: 1,1-Bis(pentamethylcyclopentadienyl)(1-<i>tert</i>-butylisocyanido) -2-trimethylsilyl-3-[(trimethylsilyl)ethynyl]hafnacyclopropene, C~35~H~57~HfNSi~2~
• Formula: C35 H57 Hf N Si2
• Calculated formula: C35 H57 Hf N Si2
• Title of publication: Crystal structure of bis(pentamethylcyclopentadienyl)-(1-tert-butylisocyanido)-2-trimethylsilyl-3- [(trimethylsilyl)ethynyl]hafnacyclopropene, (C10H15)2(C5H9N)Hf(C10H18Si2)
• 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: 191
• a: 10.741 ± 0.0003 Å
• b: 16.2302 ± 0.0005 Å
• c: 21.6945 ± 0.0007 Å
• α: 90°
• β: 104.512 ± 0.002°
• γ: 90°
• Cell volume: 3661.3 ± 0.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0662
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No