Information card for entry 4339767

Structure parameters

• Common name: Zirconium
• Chemical name: Zirconium Disilyl triamdie and Zirconium pentaamide dilithium tetra THF
• Formula: C64 H118 Li2 N8 O4 Si2 Zr2
• Calculated formula: C64 H118 Li2 N8 O4 Si2 Zr2
• SMILES: CN([Zr](N(C)C)([Si](c1ccccc1)(c1ccccc1)C(C)(C)C)(N(C)C)[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C.[N]1(C)([Zr]([N](C)(C)[Li]1([O]1CCCC1)[O]1CCCC1)([N]1(C)C)([N](C)(C)[Li]1([O]1CCCC1)[O]1CCCC1)N(C)C)C
• Title of publication: Amide-silyl ligand exchanges and equilibria among group 4 amide and silyl complexes.
• Authors of publication: Cai, Hu; Yu, Xianghua; Chen, Shujian; Qiu, He; Guzei, Ilia A.; Xue, Zi-Ling
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 19
• Pages of publication: 8071 - 8078
• a: 25.145 ± 0.003 Å
• b: 17.77 ± 0.003 Å
• c: 16.346 ± 0.003 Å
• α: 90°
• β: 97.789 ± 0.003°
• γ: 90°
• Cell volume: 7236 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No