Information card for entry 7103091

Structure parameters

• Common name: Me4PyrScBz2
• Formula: C26 H36 N3 Sc
• Calculated formula: C26 H36 N3 Sc
• SMILES: [Sc]12([N](c3c(C1)cccc3)(C)C)([N](c1c(C2)cccc1)(C)C)n1c(c(c(c1C)C)C)C
• Title of publication: Synthesis and styrene polymerisation catalysis of eta5- and eta1-pyrrolyl-ligated cationic rare earth metal aminobenzyl complexes.
• Authors of publication: Nishiura, Masayoshi; Mashiko, Tomohiro; Hou, Zhaomin
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2019 - 2021
• a: 8.575 ± 0.004 Å
• b: 19.292 ± 0.008 Å
• c: 14.179 ± 0.006 Å
• α: 90°
• β: 93.858 ± 0.006°
• γ: 90°
• Cell volume: 2340.4 ± 1.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No