Information card for entry 4300662

Structure parameters

• Formula: C160 H224 N16 S16 Sm
• Calculated formula: C160 H224 N16 S16 Sm
• SMILES: c12=Nc3n4[Sm]56789([n]2c(c2c1cc(SCCCCCC)c(c2)SCCCCCC)N=c1n5c(=Nc2[n]6c(=Nc4c4cc(SCCCCCC)c(SCCCCCC)cc34)c3c2cc(SCCCCCC)c(SCCCCCC)c3)c2c1cc(SCCCCCC)c(SCCCCCC)c2)[n]1c2=Nc3n9c(N=c4[n]8c(N=c5n7c(=Nc1c1c2cc(c(c1)SCCCCCC)SCCCCCC)c1cc(SCCCCCC)c(SCCCCCC)cc51)c1cc(SCCCCCC)c(SCCCCCC)cc41)c1cc(SCCCCCC)c(SCCCCCC)cc31
• Title of publication: Synthesis, Structure, Spectroscopic Properties and Magnetic Properties of Mesomorphic Octakis (hexylthio)-Substituted Phthalocyanine Rare-Earth Metal Sandwich Complexes
• Authors of publication: Gurek, Ayse Gul; Basova, Tamara; Luneau, Dominique; Lebrun, Colette; Kol'tsov, Evgeny; Hassan, Aseel K.; Ahsen, Vefa
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 31.629 ± 0.004 Å
• b: 32.861 ± 0.004 Å
• c: 20.482 ± 0.002 Å
• α: 90°
• β: 126.922 ± 0.002°
• γ: 90°
• Cell volume: 17019 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No