Information card for entry 4311880

Structure parameters

• Chemical name: Zirconium Amide
• Formula: C14 H42 Cl N3 Si4 Zr
• Calculated formula: C14 H42 Cl N3 Si4 Zr
• SMILES: [Zr](Cl)(N(C)C)(N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(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: 10.229 ± 0.003 Å
• b: 29.358 ± 0.008 Å
• c: 18.166 ± 0.005 Å
• α: 90°
• β: 105.498 ± 0.005°
• γ: 90°
• Cell volume: 5257 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1118
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1366
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No