Information card for entry 7026735

Structure parameters

• Formula: C22 H45 N7 Si3 Zr
• Calculated formula: C22 H45 N7 Si3 Zr
• SMILES: [Zr]12345N([Si](C)(C)C[N]4=NN5Cc4ccccc4)CC[N]3(CCN1[Si](C)(C)C)CCN2[Si](C)(C)C
• Title of publication: Insertion reactions involving a triamidoamine-supported zirconium complex.
• Authors of publication: Leshinski, Sarah; Shalumova, Tamila; Tanski, Joseph M.; Waterman, Rory
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 38
• Pages of publication: 9073 - 9078
• a: 10.729 ± 0.003 Å
• b: 15.794 ± 0.004 Å
• c: 17.897 ± 0.005 Å
• α: 90°
• β: 92.125 ± 0.004°
• γ: 90°
• Cell volume: 3030.6 ± 1.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0457
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No