Information card for entry 7021333

Structure parameters

• Common name: 4g
• Formula: C21 H34 Hf N2
• Calculated formula: C21 H34 Hf N2
• SMILES: [Hf]12345(n6cccc6C=[N]1C(C)(C)C)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)(C)C
• Title of publication: Isospecific polymerization of 1-hexene by C1-symmetric half-metallocene dimethyl complexes of group 4 metals with bidentate N-substituted iminomethylpyrrolyl ligands.
• Authors of publication: Yasumoto, Takahiro; Yamamoto, Keishi; Tsurugi, Hayato; Mashima, Kazushi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 25
• Pages of publication: 9120 - 9128
• a: 14.6866 ± 0.0009 Å
• b: 8.3103 ± 0.0004 Å
• c: 17.7682 ± 0.001 Å
• α: 90°
• β: 109.942 ± 0.003°
• γ: 90°
• Cell volume: 2038.6 ± 0.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No