Information card for entry 7047042

Structure parameters

• Formula: C56 H80 N4
• Calculated formula: C56 H80 N4
• Title of publication: Structural snapshots of the rearrangement of the bis(di-tert-butyl-aminophenyl)amine pincer ligand in the presence of transition metal ions.
• Authors of publication: Leconte, N.; Baptiste, B.; Philouze, C.; Thomas, F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 33
• Pages of publication: 11303 - 11307
• a: 23.936 ± 0.005 Å
• b: 18.585 ± 0.004 Å
• c: 12.56 ± 0.003 Å
• α: 90°
• β: 112.15 ± 0.03°
• γ: 90°
• Cell volume: 5175 ± 2 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 3
• 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: 0.1201
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.12
• Weighted residual factors for all reflections included in the refinement: 0.1468
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No