Information card for entry 1569608

Structure parameters

• Formula: C86 H118 Al2 N6 Y2
• Calculated formula: C86 H118 Al2 N6 Y2
• SMILES: [Y]1234([CH3][Y]567([CH3][Al]([CH]15[Al]([CH3]2)(C)[CH3]6)([CH3]3)C)[N](c1c(cccc1C(C)C)C(C)C)=C(N7c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)[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: 13.575 ± 0.005 Å
• b: 18.655 ± 0.007 Å
• c: 19.146 ± 0.008 Å
• α: 117.778 ± 0.005°
• β: 93.671 ± 0.006°
• γ: 98.197 ± 0.006°
• Cell volume: 4199 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1115
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No