Information card for entry 4061785

Structure parameters

• Formula: C16 H17 B N8 O Ru
• Calculated formula: C16 H17 B N8 O Ru
• SMILES: [Ru]12([n]3[n](ccc3)[BH]([n]3[n]1ccc3)[n]1[n]2ccc1)([N]#CC)([n]1cccc1)C#[O]
• Authors of publication: Gunnoe, T. Brent; Pittard, Karl A.; Cundari, Thomas R.; Petersen, Jeffrey L.; Day, Cynthia S.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 10.413 ± 0.002 Å
• b: 12.17 ± 0.002 Å
• c: 15.495 ± 0.003 Å
• α: 90°
• β: 106.195 ± 0.003°
• γ: 90°
• Cell volume: 1885.7 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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