Information card for entry 7041080

Structure parameters

• Common name: haneb04
• Chemical name: bis(cyclopentadienyl)hafnium(bis(tert-butoxide))
• Formula: C18 H28 Hf O2
• Calculated formula: C18 H28 Hf O2
• Title of publication: Reaction environment and ligand lability in group 4 Cp2MXY (X, Y = Cl, OtBu) complexes.
• Authors of publication: Boyde, Nicholas C.; Rightmire, Nicholas R.; Bierschenk, Eric J.; Steelman, Grant W.; Hanusa, Timothy P.; Brennessel, William W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 46
• Pages of publication: 18635 - 18642
• a: 8.4676 ± 0.0007 Å
• b: 8.4676 ± 0.0007 Å
• c: 12.8196 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 919.17 ± 0.13 ų
• Cell temperature: 100 ± 0.5 K
• Ambient diffraction temperature: 100 ± 0.5 K
• Number of distinct elements: 4
• Space group number: 113
• Hermann-Mauguin space group symbol: P -4 21 m
• Hall space group symbol: P -4 2ab
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No