Information card for entry 4061812

Structure parameters

• Formula: C22 H30 Mo2 S3
• Calculated formula: C22 H28 Mo2 S3
• SMILES: [Mo]12345678([Mo]9%10%11%12([S]1C)([S]2C)([S]3C)(=C4Cc1ccc(cc1)C)[cH]1[cH]%12[cH]%11[cH]%10[cH]91)[cH]1[cH]8[cH]7[cH]6[cH]51
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 9.269 ± 0.005 Å
• b: 8.706 ± 0.002 Å
• c: 29.196 ± 0.005 Å
• α: 90°
• β: 93.622 ± 0.004°
• γ: 90°
• Cell volume: 2351.1 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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