Information card for entry 4322516

Structure parameters

• Formula: C26 H64 Cl2 N6 Si4 Zr
• Calculated formula: C26 H64 Cl2 N6 Si4 Zr
• SMILES: C([N]1=C(N(C(C)C)[Zr]21(Cl)(Cl)[N](C(C)C)=C(N2C(C)C)N([Si](C)(C)C)[Si](C)(C)C)N([Si](C)(C)C)[Si](C)(C)C)(C)C
• Title of publication: N-Substituted Guanidinate Anions as Ancillary Ligands in Group 4 Chemistry. Syntheses and Characterization of M{RNC[N(SiMe3)2]NR}2Cl2, [M{CyNC[N(SiMe3)2]NCy}Cl3]- (M = Zr, Hf; R =iPr, Cy), and Zr{CyNC[N(SiMe3)2]NCy}(CH2Ph)3
• Authors of publication: Wood; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5788 - 5794
• a: 12.5453 ± 0.0017 Å
• b: 17.701 ± 0.002 Å
• c: 18.012 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3999.8 ± 0.8 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1532
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1686
• Weighted residual factors for all reflections included in the refinement: 0.1978
• 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