Information card for entry 4314363

Structure parameters

• Formula: C21 H43 Cl2 N3 Si2 Zr
• Calculated formula: C21 H43 Cl2 N3 Si2 Zr
• SMILES: [Zr]12345([N](C(C)C)=C(N1C(C)C)NC(C)C)(Cl)(Cl)[c]1([cH]3[cH]4[c]5([Si](C)(C)C)[cH]21)[Si](C)(C)C
• Title of publication: Synthesis and Structural Investigation of N,N',N''-Trialkylguanidinato-Supported Zirconium(IV) Complexes
• Authors of publication: Patrick Bazinet; Dayna Wood; Glenn P. A. Yap; Darrin S. Richeson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 6225 - 6229
• a: 14.7062 ± 0.0014 Å
• b: 19.0303 ± 0.0019 Å
• c: 20.916 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5853.6 ± 1 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1394
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No