Information card for entry 2238465

Structure parameters

• Chemical name: Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)
• Formula: C29 H41 Cl3 Hf N2
• Calculated formula: C29 H41 Cl3 Hf N2
• SMILES: C1(=CC(C)=[N]([Hf](N1c1c(cccc1C(C)C)C(C)C)(Cl)(Cl)Cl)c1c(cccc1C(C)C)C(C)C)C
• Title of publication: Trichlorido{methyl[4-(methylimino)pent-2-en-2-yl]azanido-κ^2^<i>N</i>,<i>N</i>'}hafnium(IV)
• Authors of publication: Ikeda, Ken; Masuda, Hideki
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m505
• a: 13.98 ± 0.003 Å
• b: 21.808 ± 0.004 Å
• c: 9.8492 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3002.8 ± 1 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for all reflections included in the refinement: 0.0684
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes