Information card for entry 1518878

Structure parameters

• Chemical name: compound Zr-1
• Formula: C34 H39 B Cl2 N2 O Si Zr
• Calculated formula: C34 H39 B Cl2 N2 O Si Zr
• SMILES: [Zr]1([O]2CCCC2)(Cl)(Cl)N([Si](C21c1c(c3c2cccc3)cccc1)(C)C)c1[n]2c(ccc1)c1c(cccc1)[B]2(CC)CC
• Title of publication: Group 4 metal complexes bearing the aminoborane motif: origin of tandem ring-opening metathesis/vinyl-insertion polymerization
• Authors of publication: Wang, M.; Xu, G.; Wang, D.; Zou, Y.; Frey, W.; Buchmeiser, M. R.
• Journal of publication: Polym. Chem.
• Year of publication: 2015
• Journal volume: 6
• Journal issue: 17
• Pages of publication: 3290
• a: 8.8424 ± 0.0006 Å
• b: 12.4631 ± 0.0009 Å
• c: 16.1075 ± 0.0012 Å
• α: 105.517 ± 0.004°
• β: 91.645 ± 0.003°
• γ: 106.554 ± 0.003°
• Cell volume: 1628.9 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0629
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No