Information card for entry 4060411

Structure parameters

• Formula: C23 H18 Br N8 O3 Re
• Calculated formula: C23 H18 Br N8 O3 Re
• SMILES: [Re]1(Br)(C#[O])(C#[O])(C#[O])[n]2ccc[n]2C(c2cccc(C(n3cccn3)n3cccn3)c2)[n]2ccc[n]12
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.1445 ± 0.0004 Å
• b: 20.63 ± 0.0011 Å
• c: 15.633 ± 0.0008 Å
• α: 90°
• β: 104.5 ± 0.001°
• γ: 90°
• Cell volume: 2543 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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