Information card for entry 4000598

Structure parameters

• Formula: C86 H112 Bi4 Br12 S12
• Calculated formula: C85 H96 Bi4 Br12 S12
• SMILES: [Bi](Br)(Br)Br.S(c1cc2c(cc1SC(C)C)c1cc([S]([Bi]3(Br)(Br)Br)C(C)C)c([S]3C(C)C)cc1c1cc(SC(C)C)c(SC(C)C)cc21)C(C)C.c1ccccc1
• Title of publication: Evidence and characterization of a new decamolybdocobaltate cobalt salt, an efficient precursor for hydrotreating catalyst preparation
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• a: 32.1249 ± 0.0003 Å
• b: 16.07 ± 0.0002 Å
• c: 22.8463 ± 0.0002 Å
• α: 90°
• β: 96.4605 ± 0.0003°
• γ: 90°
• Cell volume: 11719.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No