Information card for entry 7103090

Structure parameters

• Common name: PyrLaBz2
• Formula: C30 H44 La N3
• Calculated formula: C30 H44 La N3
• SMILES: [La]123456([N](c7c(C1)cccc7)(C)C)([N](c1ccccc1C3)(C)C)[n]1[c]6([cH]2[cH]4[c]51C(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: 11.643 ± 0.004 Å
• b: 28.397 ± 0.01 Å
• c: 17.549 ± 0.006 Å
• α: 90°
• β: 90.699 ± 0.004°
• γ: 90°
• Cell volume: 5802 ± 4 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: 0.0942
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No