Information card for entry 4082801

Structure parameters

• Formula: C41 H50 N6 Zr
• Calculated formula: C41 H50 N6 Zr
• SMILES: c1ccccc1N(c1ccccc1)N=[Zr]12345([n]6ccc(cc6)N(C)C)(N6CCCC6=[N]1c1cc(C)cc(C)c1)[c]1([c]3([c]2(C)[c]5([c]41C)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: 19.33688 ± 0.00007 Å
• b: 15.94563 ± 0.00005 Å
• c: 24.70487 ± 0.0001 Å
• α: 90°
• β: 101.274 ± 0.0004°
• γ: 90°
• Cell volume: 7470.47 ± 0.05 ų
• Cell temperature: 110 ± 1 K
• Ambient diffraction temperature: 110 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0738
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No