Information card for entry 4100186

Structure parameters

• Formula: C37 H26 O2 Ru
• Calculated formula: C37 H26 O2 Ru
• SMILES: c1ccc([c]23[c]4([c]5([c]6([c]2(c2ccccc2)[RuH]3456(C#[O])C#[O])c2ccccc2)c2ccccc2)c2ccccc2)cc1
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 13.8174 ± 0.0016 Å
• b: 20.133 ± 0.005 Å
• c: 20.818 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5791.3 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No