Information card for entry 1518881

Structure parameters

• Chemical name: compound 3
• Formula: C30 H33 B N2 Si
• Calculated formula: C30 H33 B N2 Si
• SMILES: [Si](Nc1[n]2[B](c3c(c2ccc1)cccc3)(CC)CC)(C1c2ccccc2c2ccccc12)(C)C
• 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: 21.8109 ± 0.0017 Å
• b: 13.5026 ± 0.0011 Å
• c: 17.5034 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5154.8 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1145
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No