Information card for entry 4101026

Structure parameters

• Formula: C31 H26 N4 O2 Ru S3
• Calculated formula: C31 H26 N4 O2 Ru S3
• SMILES: [Ru]123([S]4CC[S]1CC[S]2CC4)(n1c2c(c4c1cccc4)C1C(=O)N(C(=O)C=1c1ccc[n]3c21)Cc1ccccc1)C#N
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2006
• a: 16.08 ± 0.002 Å
• b: 11.4124 ± 0.0015 Å
• c: 15.735 ± 0.002 Å
• α: 90°
• β: 105.406 ± 0.003°
• γ: 90°
• Cell volume: 2783.7 ± 0.7 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 6
• 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