Information card for entry 4082803

Structure parameters

• Formula: C40 H58 Hf Li N5 Si2
• Calculated formula: C40 H58 Hf Li N5 Si2
• SMILES: [Hf]12345(N([Si](C)(C)C)[Si](C)(C)C)([N]6CCCC=6N(c6cc(cc(c6)C)C)[Li]6N1[N]6(c1ccccc1)c1ccccc1)[c]1([c]3([c]4([c]5([c]21C)C)C)C)C
• Title of publication: Zirconium and Hafnium Hydrazinediido Half-Sandwich Complexes: Synthesis and Reactivity
• Authors of publication: Schweizer, Peter D.; Wadepohl, Hubert; Gade, Lutz H.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 7
• Pages of publication: 1726
• a: 36.53978 ± 0.00011 Å
• b: 10.09021 ± 0.00003 Å
• c: 22.10604 ± 0.00008 Å
• α: 90°
• β: 99.1198 ± 0.0003°
• γ: 90°
• Cell volume: 8047.34 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0421
• Weighted residual factors for all reflections included in the refinement: 0.0431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No