Information card for entry 4080144

Structure parameters

• Formula: C39 H39 N6 Y
• Calculated formula: C39 H39 N6 Y
• SMILES: c1ccc2C=[N](c3c(cccc3C)C)[Y]34(n12)(n1cccc1C=[N]3c1c(cccc1C)C)n1cccc1C=[N]4c1c(cccc1C)C
• Title of publication: Synthesis of Rare-Earth-Metal Iminopyrrolyl Complexes from Alkyl Precursors: Ln→Al N-Ancillary Ligand Transfer
• Authors of publication: Kaneko, Hiroshi; Dietrich, H. Martin; Schädle, Christoph; Maichle-Mössmer, Cäcilia; Tsurugi, Hayato; Törnroos, Karl W.; Mashima, Kazushi; Anwander, Reiner
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 1199
• a: 9.7346 ± 0.0005 Å
• b: 17.5172 ± 0.0011 Å
• c: 20.4851 ± 0.0013 Å
• α: 90°
• β: 95.894 ± 0.004°
• γ: 90°
• Cell volume: 3474.7 ± 0.4 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: 0.0666
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No