Information card for entry 7023626

Structure parameters

• Formula: C24 H31 Hf N3
• Calculated formula: C24 H31 Hf N3
• SMILES: [Hf]12(N(Cc3c2c(n2[n]1ccc2)ccc3)c1c(cccc1C(C)C)C(C)C)(C)C
• Title of publication: Cationic Group-IV pincer-type complexes for polymerization and hydroamination catalysis.
• Authors of publication: Luconi, Lapo; Klosin, Jerzy; Smith, Austin J.; Germain, Stéphane; Schulz, Emmanuelle; Hannedouche, Jérôme; Giambastiani, Giuliano
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 45
• Pages of publication: 16056 - 16065
• a: 10.5097 ± 0.0002 Å
• b: 12.3812 ± 0.0002 Å
• c: 33.8422 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4403.64 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No