Information card for entry 1518877

Structure parameters

• Chemical name: compound 4
• Formula: C50 H71 B Li2 N2 O5 Si
• Calculated formula: C50 H71 B Li2 N2 O5 Si
• SMILES: [Si](N([Li]1[O]2CCCC2)c2[n]3c(ccc2)c2ccccc2[B]3(CC)CC)(C12c1c(c3c2cccc3)cccc1)(C)C.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 14.2413 ± 0.0007 Å
• b: 19.4418 ± 0.0009 Å
• c: 17.8883 ± 0.0008 Å
• α: 90°
• β: 107.095 ± 0.002°
• γ: 90°
• Cell volume: 4734 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.091
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No