Information card for entry 4307079

Structure parameters

• Formula: C24 H40 N6 Si2 Zr
• Calculated formula: C24 H40 N6 Si2 Zr
• SMILES: [Zr]1234(N(c5ccccc5)[Si]([N]15CC[N]4([Si](N2c1ccccc1)(C)C)CCN3CC5)(C)C)N(C)C
• Title of publication: Amido/Amine Triazacyclononane-Based Zirconium Complexes: Syntheses, Reactivity, and Structures
• Authors of publication: Humberto Ferreira; Alberto R. Dias; M. Teresa Duarte; José R. Ascenso; Ana M. Martins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 750 - 755
• a: 15.446 ± 0.003 Å
• b: 11.05 ± 0.002 Å
• c: 18.125 ± 0.006 Å
• α: 90°
• β: 114.55 ± 0.02°
• γ: 90°
• Cell volume: 2813.9 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No