Information card for entry 7034306

Structure parameters

• Formula: C39 H70 B2 N4 O0.5 Si Zr
• Calculated formula: C37 H66 B2 N4 Si Zr
• SMILES: [Zr]123(N([Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)([n]1ccc(N(C)C)cc1)([H][BH2][H]2)[H][BH2][H]3
• 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: 10.8302 ± 0.0004 Å
• b: 16.9778 ± 0.0007 Å
• c: 23.5656 ± 0.0009 Å
• α: 90°
• β: 91.998 ± 0.001°
• γ: 90°
• Cell volume: 4330.4 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0485
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0967
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No