Information card for entry 4103403

Structure parameters

• Formula: C55 H81 Hf2 N4 O4 Si2
• Calculated formula: C55 H81 Hf2 N4 O4 Si2
• Title of publication: Functionalization of Hafnium Oxamidide Complexes Prepared from CO-Induced N2 Cleavage
• Authors of publication: Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 15340 - 15350
• a: 13.046 ± 0.0008 Å
• b: 14.4943 ± 0.0009 Å
• c: 17.9894 ± 0.0012 Å
• α: 66.648 ± 0.003°
• β: 89.161 ± 0.003°
• γ: 65.823 ± 0.003°
• Cell volume: 2804.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0227
• Weighted residual factors for significantly intense reflections: 0.0485
• Weighted residual factors for all reflections included in the refinement: 0.0529
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No