Information card for entry 4335390

Structure parameters

• Formula: C66 H102 Hf N2 O4
• Calculated formula: C66 H102 Hf N2 O4
• 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: 11.7292 ± 0.0004 Å
• b: 15.5806 ± 0.0005 Å
• c: 19.204 ± 0.0006 Å
• α: 84.927 ± 0.001°
• β: 84.142 ± 0.001°
• γ: 87.943 ± 0.001°
• Cell volume: 3476.2 ± 0.2 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: 0.0373
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No