Information card for entry 1569610

Structure parameters

• Formula: C87 H118 Al2 N6 O Y2
• Calculated formula: C87 H118 Al2 N6 O Y2
• SMILES: [Y]1234([CH3][Y]56([CH3][Al]([O]15[Al]([CH3]2)(C)C)(C)C)([N](=C(N6c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)Cc1ccccc1)c1c(cccc1C(C)C)C(C)C)[C]3#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: 44.077 ± 0.004 Å
• b: 13.4246 ± 0.0013 Å
• c: 29.287 ± 0.003 Å
• α: 90°
• β: 93.806 ± 0.002°
• γ: 90°
• Cell volume: 17291 ± 3 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: 0.124
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1657
• Weighted residual factors for all reflections included in the refinement: 0.1903
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No