Information card for entry 4100561

Structure parameters

• Formula: C26 H37 Mo O3 P S
• Calculated formula: C26 H37 Mo O3 P S
• SMILES: [Mo]12345(C#[O])(C#[O])([cH]6[cH]1[cH]2[cH]3[cH]46)[S](C)[P]5(=O)c1c(cc(cc1C(C)(C)C)C(C)(C)C)C(C)(C)C
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 8.9 ± 0.0018 Å
• b: 23.129 ± 0.005 Å
• c: 13.248 ± 0.003 Å
• α: 90°
• β: 94.72 ± 0.03°
• γ: 90°
• Cell volume: 2717.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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