Information card for entry 1569612

Structure parameters

• Formula: C47 H72 Al2 N3 Y
• Calculated formula: C47 H72 Al2 N3 Y
• SMILES: [Y]123([CH3][Al]([CH3]1)(C)C)([CH3][Al]([CH3]3)(C)C)N(c1c(cccc1C(C)C)C(C)C)C(=[N]2c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1
• Title of publication: A binuclear guanidinate yttrium carbyne complex: unique reactivity toward unsaturated C-N, C-O and C-S bonds.
• Authors of publication: Jiang, Wen; Kong, Feng; Del Rosal, Iker; Li, Meng; Wang, Kai; Maron, Laurent; Zhang, Lixin
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 34
• Pages of publication: 9154 - 9160
• a: 11.0717 ± 0.0003 Å
• b: 12.1069 ± 0.0003 Å
• c: 36.4308 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4883.3 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1273
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No