Information card for entry 4078086

Structure parameters

• Common name: Guanidinate TriTMSsilyl Zr
• Chemical name: Guanidinate TriTMSsilyl Zr
• Formula: C28 H67 N5 Si4 Zr
• Calculated formula: C28 H67 N5 Si4 Zr
• SMILES: [Zr]1(N(C)C)(N(C)C)([N](C2CCCCC2)=C(N(C)C)N1C1CCCCC1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions
• Authors of publication: Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 3443
• a: 9.635 ± 0.007 Å
• b: 11.677 ± 0.009 Å
• c: 17.915 ± 0.013 Å
• α: 96.198 ± 0.015°
• β: 95.664 ± 0.017°
• γ: 93.531 ± 0.016°
• Cell volume: 1989 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No