Information card for entry 1569611

Structure parameters

• Formula: C91 H120 Al2 N6 S Y2
• Calculated formula: C91 H120 Al2 N6 S Y2
• SMILES: [Y]1234([S](c5ccccc5)[Y]567([CH3][Al]([CH]15[Al]([CH3]2)(C)[CH3]7)([CH3]3)C)[N](=C(N6c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)[N](=C(N4c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C
• 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: 18.21 ± 0.003 Å
• b: 22.124 ± 0.003 Å
• c: 26.122 ± 0.004 Å
• α: 90°
• β: 106.485 ± 0.002°
• γ: 90°
• Cell volume: 10091 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• 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: 0.1124
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.1601
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No