Information card for entry 1542437

Structure parameters

• Chemical name: 'LZr(Bn)2'
• Formula: C54 H61 B N2 Si Zr
• Calculated formula: C54 H61 B N2 Si Zr
• SMILES: [Zr]12345(N(c6nc(ccc6)c6c(B(c7c(cc(cc7C)C)C)c7c(cc(cc7C)C)C)cccc6)[Si](C)(C)[c]62[c]3([c]4([c]5([c]16C)C)C)C)(Cc1ccccc1)Cc1ccccc1
• 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: 27.914 ± 0.002 Å
• b: 16.0147 ± 0.0009 Å
• c: 10.2151 ± 0.0007 Å
• α: 90°
• β: 95.322 ± 0.004°
• γ: 90°
• Cell volume: 4546.8 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.2007
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1143
• Weighted residual factors for all reflections included in the refinement: 0.1337
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No