Information card for entry 4300539

Structure parameters

• Formula: C38 H63 Mo N7 O5 S4
• Calculated formula: C38 H63 Mo N7 O5 S4
• SMILES: [Mo]12(Sc3c(S1)c(NC(=O)C)ccc3NC(=O)C)(Sc1c(S2)c(NC(=O)C)ccc1NC(=O)C)=O.[N+](CC)(CC)(CC)CC.[N+](CC)(CC)(CC)CC.N#CC
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• a: 15.189 ± 0.004 Å
• b: 14.488 ± 0.004 Å
• c: 21.159 ± 0.004 Å
• α: 90°
• β: 100.936 ± 0.018°
• γ: 90°
• Cell volume: 4571 ± 2 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No