Information card for entry 4105143

Structure parameters

• Formula: C37 H55 Hf2 I N2
• Calculated formula: C37.0018 H55.0054 Hf2 I0.9982 N2
• Title of publication: Addition of Methyl Triflate to a Hafnocene Dinitrogen Complex: Stepwise N2 Methylation and Conversion to a Hafnocene Hydrazonato Compound
• Authors of publication: Donald J. Knobloch; David Benito-Garagorri; Wesley H. Bernskoetter; Ivan Keresztes; Emil Lobkovsky; Hannah Toomey; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 14903 - 14912
• a: 8.6689 ± 0.0013 Å
• b: 10.3474 ± 0.0014 Å
• c: 10.8645 ± 0.0016 Å
• α: 76.576 ± 0.007°
• β: 67.489 ± 0.007°
• γ: 76.621 ± 0.007°
• Cell volume: 864.6 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1071
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No