Information card for entry 4311879

Structure parameters

• Chemical name: Hafnium amide cyclic complex
• Formula: C28 H82 Hf2 N6 Si8
• Calculated formula: C28 H78 Hf2 N6 Si8
• SMILES: [CH2]12[Hf]([CH2]3[Hf]1(N([Si]3(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N(C)C)(N([Si]2(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N(C)C
• Title of publication: Zirconium, Hafnium, and Tantalum Amide Silyl Complexes: Their Preparation and Conversion to Metallaheterocyclic Complexes via γ-Hydrogen Abstraction by Silyl Ligands
• Authors of publication: Xianghua Yu; Siwei Bi; Ilia A. Guzei; Zhenyang Lin; Zi-Ling Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7111 - 7119
• a: 10.151 ± 0.004 Å
• b: 14.368 ± 0.005 Å
• c: 18.921 ± 0.007 Å
• α: 105.33 ± 0.006°
• β: 99.331 ± 0.006°
• γ: 105.157 ± 0.006°
• Cell volume: 2488.3 ± 1.6 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: 0.0508
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 0.848
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No