Information card for entry 7035245

Structure parameters

• Formula: C84 H72 K4 N12 O14 S4
• Calculated formula: C84 H72 K4 N12 O14 S4
• Title of publication: Lanthanide complexes with 2-(tosylamino)benzylidene-N-benzoylhydrazone, which exhibit high NIR emission.
• Authors of publication: Utochnikova, V. V.; Kovalenko, A. D.; Burlov, A. S.; Marciniak, L.; Ananyev, I. V.; Kalyakina, A. S.; Kurchavov, N. A.; Kuzmina, N. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 28
• Pages of publication: 12660 - 12669
• a: 14.873 ± 0.004 Å
• b: 31.05 ± 0.008 Å
• c: 17.737 ± 0.004 Å
• α: 90°
• β: 90.749 ± 0.005°
• γ: 90°
• Cell volume: 8190 ± 4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1584
• Residual factor for significantly intense reflections: 0.0765
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.2236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No