Information card for entry 4067633

Structure parameters

• Formula: C57 H65 N6 Y
• Calculated formula: C57 H65 N6 Y
• SMILES: [Y]123([n]4ccccc4CC4N1C(=Cc1c4cccc1)C)([n]1cc4ccccc4cc1C)[n]1c(CN2c2c(cccc2C(C)C)C(C)C)cccc1CN3c1c(cccc1C(C)C)C(C)C
• Title of publication: Reactions of Aromatic N-Heterocycles with Yttrium and Lutetium Benzyl Complexes Supported by a Pyridine-Diamide Ligand
• Authors of publication: Jie, Suyun; Diaconescu, Paula L.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 5
• Pages of publication: 1222
• a: 19.098 ± 0.003 Å
• b: 13.646 ± 0.002 Å
• c: 20.466 ± 0.003 Å
• α: 90°
• β: 114.859 ± 0.002°
• γ: 90°
• Cell volume: 4839.5 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0895
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1034
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No