Information card for entry 1542436

Structure parameters

• Chemical name: 'LZr(CH3)2'
• Formula: C42 H53 B N2 Si Zr
• Calculated formula: C42 H53 B N2 Si Zr
• SMILES: [Zr]123456(N(c7[n]3c(ccc7)c3c(B(c7c(cc(cc7C)C)C)c7c(cc(cc7C)C)C)cccc3)[Si](C)(C)[c]34[c]5([c]6([c]1([c]23C)C)C)C)(C)C
• Title of publication: Tandem vinyl insertion-/ring-opening metathesis copolymerization with ansa-6-[2-(dimesitylboryl)-phenyl]pyrid-2-ylamido zirconium complexes: role of trialkylaluminum and MAO
• Authors of publication: Wang, Min; Wang, Dongren; Widmann, Laura; Frey, Wolfgang; Buchmeiser, Michael R.
• Journal of publication: Polym. Chem.
• Year of publication: 2016
• Journal volume: 7
• Journal issue: 10
• Pages of publication: 1987
• a: 8.6885 ± 0.001 Å
• b: 12.1849 ± 0.0012 Å
• c: 18.105 ± 0.002 Å
• α: 79.834 ± 0.005°
• β: 85.356 ± 0.006°
• γ: 81.823 ± 0.005°
• Cell volume: 1864.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0738
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No