Information card for entry 1569615

Structure parameters

• Formula: C104 H124 Al N8 Y2
• Calculated formula: C104 H124 Al N8 Y2
• SMILES: [Y]123456([CH3][Y]78([N](c9c(cccc9C(C)C)C(C)C)=C(N7c7c(cccc7C(C)C)C(C)C)N(Cc7ccccc7)Cc7ccccc7)[N]5=[C]3([C]2=[C]1(c1ccccc1)[N]68[Al](C)(C)C)c1ccccc1)[N](c1c(cccc1C(C)C)C(C)C)=C(N4c1c(cccc1C(C)C)C(C)C)N(Cc1ccccc1)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: 12.1633 ± 0.0005 Å
• b: 18.7824 ± 0.0006 Å
• c: 22.3511 ± 0.0008 Å
• α: 105.924 ± 0.002°
• β: 103.097 ± 0.002°
• γ: 102.186 ± 0.002°
• Cell volume: 4574.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173.01 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: 0.0987
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1529
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 1.34138 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No