Information card for entry 1569613

Structure parameters

• Formula: C92 H119 Al2 N7 S Y2
• Calculated formula: C92 H119 Al2 N7 S Y2
• SMILES: [Y]1234([CH3][Al]5([CH3][Y]67([CH3][Al](C6=[C]1=[N]3c1ccccc1)(C)C)([N](c1c(cccc1C(C)C)C(C)C)=C(N7c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)[S]25)C)[N](c1c(cccc1C(C)C)C(C)C)=C(N4c1c(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: 69.627 ± 0.011 Å
• b: 13.874 ± 0.002 Å
• c: 21.791 ± 0.003 Å
• α: 90°
• β: 98.943 ± 0.003°
• γ: 90°
• Cell volume: 20794 ± 5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.15 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1247
• Residual factor for significantly intense reflections: 0.0855
• Weighted residual factors for significantly intense reflections: 0.2399
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No