Information card for entry 7001400

Structure parameters

• Common name: Cp*HfMe(ONMeCH2)2
• Formula: C15 H28 Hf N2 O2
• Calculated formula: C15 H28 Hf N2 O2
• SMILES: [Hf]1234567(O[N]2(C)CC[N]3(O1)C)([c]1([c]4([c]5([c]6([c]71C)C)C)C)C)C
• Title of publication: Bis-hydroxylaminato group 4 half-sandwich complexes—syntheses, structures and polymerisation activity studies
• Authors of publication: Willner, Alexander; Niemeyer, Jochen; Mitzel, Norbert W.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4473 - 4480
• a: 8.5774 ± 0.0014 Å
• b: 12.692 ± 0.002 Å
• c: 15.92 ± 0.003 Å
• α: 90°
• β: 90.2 ± 0.018°
• γ: 90°
• Cell volume: 1733.1 ± 0.5 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0882
• Residual factor for significantly intense reflections: 0.0715
• Weighted residual factors for significantly intense reflections: 0.1623
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.308
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No