Information card for entry 4066312

Structure parameters

• Formula: C69 H72 B2 N12 Y2
• Calculated formula: C69 H72 B2 N12 Y2
• SMILES: [Y]12345([C](#Cc6ccccc6)[Y]789([n]%10n(c(cc%10C)C)[BH](n%10[n]7c(cc%10C)C)n7[n]8c(cc7C)C)([C]4(=C3c3ccccc3)[C]9#Cc3ccccc3)[C]5#Cc3ccccc3)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C.Cc1ccccc1
• 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: 13.7998 ± 0.0007 Å
• b: 25.7975 ± 0.0013 Å
• c: 18.1046 ± 0.0009 Å
• α: 90°
• β: 95.9411 ± 0.001°
• γ: 90°
• Cell volume: 6410.6 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1167
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1059
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No