Information card for entry 4078085

Structure parameters

• Common name: GuanidinateBisTMSamide Zr
• Chemical name: Guanidinate BisTMSamide Zr
• Formula: C25 H58 N6 Si2 Zr
• Calculated formula: C25 H58 N6 Si2 Zr
• SMILES: [Zr]1([N](C2CCCCC2)=C(N1C1CCCCC1)N(C)C)(N([Si](C)(C)C)[Si](C)(C)C)(N(C)C)N(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: 9.016 ± 0.004 Å
• b: 11.529 ± 0.006 Å
• c: 16.364 ± 0.008 Å
• α: 89.636 ± 0.013°
• β: 75.48 ± 0.012°
• γ: 88.43 ± 0.012°
• Cell volume: 1646 ± 1.4 ų
• Cell temperature: 163 ± 2 K
• Ambient diffraction temperature: 163 ± 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: 0.0375
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No