Information card for entry 4089067

Structure parameters

• Formula: C36 H66 Cl Hf N3
• Calculated formula: C36 H66 Cl Hf N3
• Title of publication: Zwitterionic d0Metal Complexes [(Cy2N)3M]+[(μ-Me)B(C6F5)3]−(M = Ti, Zr, Hf) Derived from Tris(dicyclohexylamido)methyl Metal Precursors
• Authors of publication: Adler, Christian; Frerichs, Nils; Schmidtmann, Marc; Beckhaus, Rüdiger
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 21
• Pages of publication: 3728
• a: 9.7839 ± 0.0003 Å
• b: 10.4952 ± 0.0003 Å
• c: 39.8958 ± 0.0011 Å
• α: 86.246 ± 0.0014°
• β: 83.4103 ± 0.0013°
• γ: 62.6492 ± 0.0013°
• Cell volume: 3614.28 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0503
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0769
• Goodness-of-fit parameter for all reflections included in the refinement: 1.137
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No