Information card for entry 4062375

Structure parameters

• Formula: C47 H39 N4 O S2 Yb
• Calculated formula: C47 H39 N4 O S2 Yb
• SMILES: [Yb]123456(SC(=[N]5c5ccccc5)n5c7ccccc7c7ccccc57)(SC(=[N]6c5ccccc5)n5c6ccccc6c6ccccc56)([O]5CCCC5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Journal of publication: Organometallics
• Year of publication: 2003
• a: 12.957 ± 0.011 Å
• b: 14.86 ± 0.012 Å
• c: 14.88 ± 0.012 Å
• α: 74.266 ± 0.012°
• β: 71.54 ± 0.011°
• γ: 66.508 ± 0.011°
• Cell volume: 2458 ± 3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No