Information card for entry 7012276

Structure parameters

• Formula: C32 H40 Hf N4
• Calculated formula: C32 H40 Hf N4
• Title of publication: Efficient ethylene polymerisation catalysis by a cationic benzyl hafnium complex containing pyrrolide-imine ligandsElectronic supplementary information (ESI) available: experimental and spectroscopic details. See http://www.rsc.org/suppdata/dt/b2/b209582c/
• Authors of publication: Matsui, Shigekazu; Spaniol, Thomas P.; Takagi, Yukihiro; Yoshida, Yasunori; Okuda, Jun
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 4529
• a: 13.602 ± 0.001 Å
• b: 9.711 ± 0.0005 Å
• c: 22.397 ± 0.002 Å
• α: 90°
• β: 95.228 ± 0.007°
• γ: 90°
• Cell volume: 2946.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1253
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No