Information card for entry 7034305

Structure parameters

• Formula: C46 H84 B Cl2 Li N2 O4 Si Zr
• Calculated formula: C46 H84 B Cl2 Li N2 O4 Si Zr
• SMILES: [Zr]12(Cl)(Cl)(N([Si](N1c1c(cccc1C(C)C)C(C)C)(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[H][BH2][H]2.[O]1(CCCC1)[Li]([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 15.4463 ± 0.0017 Å
• b: 18.451 ± 0.002 Å
• c: 18.574 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5293.6 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0829
• Residual factor for significantly intense reflections: 0.0795
• Weighted residual factors for significantly intense reflections: 0.2073
• Weighted residual factors for all reflections included in the refinement: 0.2096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No