Information card for entry 7103093

Structure parameters

• Common name: PyrYBz2
• Formula: C30 H44 N3 Y
• Calculated formula: C30 H44 N3 Y
• SMILES: [Y]123456([N](c7c(C1)cccc7)(C)C)([N](c1c(C2)cccc1)(C)C)[n]1[c]5([cH]6[cH]3[c]41C(C)(C)C)C(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: 11.14 ± 0.002 Å
• b: 21.396 ± 0.004 Å
• c: 11.757 ± 0.002 Å
• α: 90°
• β: 93.477 ± 0.002°
• γ: 90°
• Cell volume: 2797 ± 0.9 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0623
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No