Information card for entry 7106982

Structure parameters

• Formula: C26 H63 N7 Si3 Zr
• Calculated formula: C26 H63 N7 Si3 Zr
• SMILES: [Zr]1234(N([Si](C)(C)C)CC[N]3(CCN1[Si](C)(C)C)CC[N]2=C(N4C(C)C)N([Si](C)(C)C)C(C)C)NC(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: 10.3406 ± 0.0005 Å
• b: 10.3645 ± 0.0005 Å
• c: 17.2962 ± 0.0008 Å
• α: 88.534 ± 0.001°
• β: 87.146 ± 0.001°
• γ: 77.752 ± 0.001°
• Cell volume: 1809.07 ± 0.15 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 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: 0.0405
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No