Information card for entry 7106983

Structure parameters

• Formula: C22 H53 Cl N6 Si3 Zr
• Calculated formula: C22 H53 Cl N6 Si3 Zr
• SMILES: [Zr]1234(Cl)N([Si](C)(C)C)CC[N]1(CCN4[Si](C)(C)C)CC[N]3=C(N2C(C)C)N([Si](C)(C)C)C(C)C
• Title of publication: C-N Bond formation via ligand-induced nucleophilicity at a coordinated triamidoamine ligand
• Authors of publication: Annalese Maddox; Karla A. Erickson; Joseph Tanski; Rory Waterman
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 11769
• a: 9.517 ± 0.003 Å
• b: 10.057 ± 0.004 Å
• c: 19.313 ± 0.006 Å
• α: 76.739 ± 0.005°
• β: 80.8 ± 0.003°
• γ: 62.44 ± 0.003°
• Cell volume: 1591.9 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No