Information card for entry 4349643

Structure parameters

• Formula: C34 H30 N8 S6
• Calculated formula: C34 H30 N8 S6
• SMILES: S(CCC)C1=C(SCCC)SC(S1)=C1Sc2c(S1)cc1n(c(nc1c2)c1ncccc1)Cc1cc(nc(n2nccc2)c1)n1nccc1
• 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: 8.184 ± 0.009 Å
• b: 13.719 ± 0.015 Å
• c: 16.857 ± 0.016 Å
• α: 112.03 ± 0.05°
• β: 90.19 ± 0.04°
• γ: 106.24 ± 0.05°
• Cell volume: 1672 ± 3 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: 0.2073
• Residual factor for significantly intense reflections: 0.0776
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No