Information card for entry 4100169

Structure parameters

• Formula: C30 H31 Cl N2 O2 Ru S
• Calculated formula: C30 H31 Cl N2 O2 Ru S
• SMILES: [Ru]1234567(Cl)N(S(=O)(=O)c8ccc(C)cc8)[C@H]([C@@H]([NH]1CCC[c]12[cH]3[cH]4[cH]5[cH]6[cH]71)c1ccccc1)c1ccccc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 12.57 ± 0.003 Å
• b: 17.252 ± 0.004 Å
• c: 25.295 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5486 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No