Information card for entry 7034307

Structure parameters

• Formula: C36 H62 N2 O Si Zr
• Calculated formula: C36 H62 N2 O Si Zr
• SMILES: [Zr]1(N(c2c(cccc2C(C)C)C(C)C)[Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)([O]1CCCC1)(C)C
• Title of publication: Synthesis, characterisation, and dehydrocoupling ability of zirconium complexes bearing hindered bis(amido)silyl ligands.
• Authors of publication: Lummis, Paul A.; McDonald, Robert; Ferguson, Michael J.; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 15
• Pages of publication: 7009 - 7020
• a: 11.3162 ± 0.0004 Å
• b: 13.2629 ± 0.0005 Å
• c: 24.9183 ± 0.0009 Å
• α: 90°
• β: 94.873 ± 0.0004°
• γ: 90°
• Cell volume: 3726.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0272
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No