Information card for entry 4308685

Structure parameters

• Common name: zirconium
• Chemical name: Zirconium tris(trimethylsilylamide) dihydrogenamide
• Formula: C18 H58 N4 Si6 Zr
• Calculated formula: C18 H54 N4 Si6 Zr
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Zr](N([Si](C)(C)C)[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N
• Title of publication: Deprotonation Reactions of Zirconium and Hafnium Amide Complexes H2N-M[N(SiMe3)2]3 and Subsequent Silyl Migration from Amide -N(SiMe3)2 to Imide NH Ligands
• Authors of publication: Xianghua Yu; Zi-Ling Xue
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 1505 - 1510
• a: 18.25 ± 0.008 Å
• b: 18.25 ± 0.008 Å
• c: 17.1 ± 0.012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4932 ± 5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0314
• Residual factor for significantly intense reflections: 0.0282
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1033
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No