Information card for entry 7706838

Structure parameters

• Formula: C48 H52 K N6 O9 S2 Yb
• Calculated formula: C48 H52 K N6 O9 S2 Yb
• SMILES: [Yb]1234567[O]8=S(=[O][K]8([O]=S(=[O]3)(N5c3c(C=[N]7N=C(O1)c1ccccc1)cccc3)c1ccc(C)cc1)([OH]CC)([OH]CC)[OH]CC)(N4c1c(cccc1)C=[N]6N=C(O2)c1ccccc1)c1ccc(C)cc1
• Title of publication: Highly NIR-emitting ytterbium complexes containing 2-(tosylaminobenzylidene)-N-benzoylhydrazone anions: structure in solution and use for bioimaging.
• Authors of publication: Kovalenko, Anton D.; Pavlov, Alexander A.; Ustinovich, Ilya D.; Kalyakina, Alena S.; Goloveshkin, Alexander S.; Marciniak, Łukasz; Lepnev, Leonid S.; Burlov, Anatolii S.; Schepers, Ute; Bräse, Stefan; Utochnikova, Valentina V.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3786 - 3791
• a: 9.2427 ± 0.0013 Å
• b: 11.0807 ± 0.0015 Å
• c: 24.563 ± 0.003 Å
• α: 86.803 ± 0.002°
• β: 88.788 ± 0.002°
• γ: 74.75 ± 0.002°
• Cell volume: 2423.2 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No