Information card for entry 4114548

Structure parameters

• Formula: C113 H111 Cr F18 N25 O21 S6 Yb
• Calculated formula: C113 H111 Cr F18 N25 O21 S6 Yb
• SMILES: [Yb]12345678[O]=C(N(CC)CC)c9[n]2c(c2[n]1c1cc(Cc%10cc%11[n]%12[Cr]%13%14([n]%15cc(ccc%15c%12n(c%11cc%10)C)C)([n]%10cc(ccc%10c%10[n]%13c%11cc(ccc%11n%10C)Cc%10cc%11[n]4c(n(c%11cc%10)C)c4[n]5c(ccc4)C(=[O]3)N(CC)CC)C)[n]3cc(ccc3c3[n]%14c4cc(ccc4n3C)Cc3cc4[n]7c(n(c4cc3)C)c3[n]8c(ccc3)C(=[O]6)N(CC)CC)C)ccc1n2C)ccc9.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.N#CC.N#CC.N#CC.N#CC
• Title of publication: Extending Lifetimes of Lanthanide-Based Near-Infrared Emitters (Nd, Yb) in the Millisecond Range through Cr(III) Sensitization in Discrete Bimetallic Edifices
• Authors of publication: Daniel Imbert; Martine Cantuel; Jean-Claude G. Bünzli; Gérald Bernardinelli; Claude Piguet
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 15698 - 15699
• a: 22.2714 ± 0.001 Å
• b: 22.8851 ± 0.0012 Å
• c: 24.3983 ± 0.0011 Å
• α: 90°
• β: 92.156 ± 0.005°
• γ: 90°
• Cell volume: 12426.6 ± 1 ų
• Cell temperature: 200 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for all reflections included in the refinement: 0.037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.11
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No