Information card for entry 4103405

Structure parameters

• Formula: C20.92 H30 Hf I1.08 N0.92 O0.92 Si
• Calculated formula: C20.9206 H30 Hf I1.0794 N0.9206 O0.9206 Si
• SMILES: [Hf]123456789(I)([c]%10([Si]([c]%115[c]6([c]7([c]8([c]9%11C)C)C)C)(C)C)[cH]1[cH]2[c]3([cH]4%10)C(C)(C)C)N=C=O
• 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: 9.5359 ± 0.0005 Å
• b: 24.7208 ± 0.0011 Å
• c: 10.0763 ± 0.0005 Å
• α: 90°
• β: 109.167 ± 0.001°
• γ: 90°
• Cell volume: 2243.66 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0303
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0641
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No