Information card for entry 4069184

Structure parameters

• Common name: Zirconium amide chloride
• Chemical name: Zirconium trimethylsily amide chloride Lithium THF
• Formula: C192 H480 Cl24 Li8 N16 O24 Si32 Zr8
• Calculated formula: C24 H60 Cl3 Li N2 O3 Si4 Zr
• SMILES: C[Si](C)(C)N([Si](C)(C)C)[Zr]([Cl][Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1)(Cl)(Cl)N([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Synthesis and Characterization of Group 4 Amide Chloride and Amide Imide Complexes
• Authors of publication: Yu, Xianghua; Chen, Shu-Jian; Wang, Xiaoping; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4269
• a: 13.333 ± 0.004 Å
• b: 31.207 ± 0.009 Å
• c: 18.995 ± 0.005 Å
• α: 90°
• β: 90.708 ± 0.005°
• γ: 90°
• Cell volume: 7903 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1533
• Residual factor for significantly intense reflections: 0.0477
• Weighted residual factors for significantly intense reflections: 0.1029
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No