Information card for entry 4335386

Structure parameters

• Formula: C55 H89 N O4 Zr
• Calculated formula: C55 H89 N O5 Zr
• Title of publication: Zirconium and Hafnium Complexes Containing N-Alkyl-Substituted Amine Biphenolate Ligands: Unexpected Ligand Degradation and Divergent Complex Constitutions Governed by N-Alkyls
• Authors of publication: Lan-Chang Liang; Chia-Cheng Chien; Ming-Tsz Chen; Sheng-Ta Lin
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7709 - 7716
• a: 12.2026 ± 0.0007 Å
• b: 14.6151 ± 0.0008 Å
• c: 16.4878 ± 0.0009 Å
• α: 78.787 ± 0.001°
• β: 80.603 ± 0.001°
• γ: 71.376 ± 0.001°
• Cell volume: 2717.1 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0594
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1491
• Weighted residual factors for all reflections included in the refinement: 0.1537
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No