Information card for entry 4066315

Structure parameters

• Formula: C92 H120 B2 N12 Y2
• Calculated formula: C78 H104 B2 N12 Y2
• SMILES: [Y]12345([C](#CC67CC8CC(C6)CC(C7)C8)[Y]678([n]9n(c(cc9C)C)[BH](n9[n]7c(cc9C)C)n7[n]8c(cc7C)C)([C]4(=C3C34CC7CC(C3)CC(C4)C7)[C]6#CC34CC6CC(C3)CC(C4)C6)[C]5#CC34CC5CC(C3)CC(C4)C5)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
• Title of publication: Reactions of Scorpionate-Anchored Yttrium and Lutetium Dialkyls with Terminal Alkynes: From Bimetallic Complexes with Bridging Enynediyl Ligands to Monomeric Terminal Dialkynyl Complexes†
• Authors of publication: Saliu, Kuburat O.; Cheng, Jianhua; McDonald, Robert; Ferguson, Michael J.; Takats, Josef
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 21
• Pages of publication: 4950
• a: 16.8323 ± 0.0014 Å
• b: 18.1731 ± 0.0015 Å
• c: 19.2 ± 0.0016 Å
• α: 117.232 ± 0.0013°
• β: 106.232 ± 0.0015°
• γ: 97.2544 ± 0.0015°
• Cell volume: 4786.7 ± 0.7 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 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: 0.1393
• Residual factor for significantly intense reflections: 0.0742
• Weighted residual factors for significantly intense reflections: 0.1753
• Weighted residual factors for all reflections included in the refinement: 0.1979
• Goodness-of-fit parameter for all reflections included in the refinement: 0.889
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No