Information card for entry 4314364

Structure parameters

• Formula: C14 H30 Cl3 N3 O Zr
• Calculated formula: C14 H30 Cl3 N3 O Zr
• SMILES: [Zr]1(Cl)(Cl)(Cl)([O]3CCCC3)[N](C(C)C)=C(N1C(C)C)NC(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: 9.424 ± 0.002 Å
• b: 15.105 ± 0.004 Å
• c: 15.152 ± 0.004 Å
• α: 90°
• β: 104.7 ± 0.02°
• γ: 90°
• Cell volume: 2086.3 ± 0.9 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0765
• Residual factor for significantly intense reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.1665
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No