Information card for entry 4349644

Structure parameters

• Formula: C34 H31 N5 S6
• Calculated formula: C34 H31 N5 S6
• SMILES: S(CCC)C1=C(SCCC)SC(S1)=C1Sc2cc3nc(n(c3cc2S1)Cc1ccnc(c1)c1nccc(c1)C)c1ncccc1
• Title of publication: Lanthanide complexes involving multichelating TTF-based ligands
• Authors of publication: Speed, S.; Feng, M.; Fernandez Garcia, G.; Pointillart, F.; Lefeuvre, B.; Riobé, F.; Golhen, S.; Le Guennic, B.; Totti, F.; Guyot, Y.; Cador, O.; Maury, O.; Ouahab, L.
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 604
• a: 8.1794 ± 0.0014 Å
• b: 14.562 ± 0.002 Å
• c: 14.923 ± 0.003 Å
• α: 111.939 ± 0.008°
• β: 95.39 ± 0.006°
• γ: 96.41 ± 0.007°
• Cell volume: 1620.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.966
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No