Information card for entry 4322515

Structure parameters

• Formula: C31 H66 Cl4 Li N3 O3 Si2 Zr
• Calculated formula: C31 H66 Cl4 Li N3 O3 Si2 Zr
• SMILES: [Zr]1([Cl][Li]([O](CC)CC)([O]2CCCC2)[O]2CCCC2)(Cl)(Cl)(Cl)[N](C2CCCCC2)=C(N1C1CCCCC1)N([Si](C)(C)C)[Si](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: 33.284 ± 0.007 Å
• b: 14.956 ± 0.003 Å
• c: 17.381 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8652 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 8
• 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: 0.0946
• Residual factor for significantly intense reflections: 0.0802
• Weighted residual factors for significantly intense reflections: 0.2408
• Weighted residual factors for all reflections included in the refinement: 0.2532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No