Information card for entry 4000582

Structure parameters

• Formula: C50 H29 B F24 N3 O3 Re
• Calculated formula: C50 H29 B F24 N3 O3 Re
• SMILES: [Re]1([n]2ccccc2c2[n]1cccc2)(C#[O])(C#[O])(C#[O])C#[N]C(C)(C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Journal of publication: Chemistry of Materials
• Year of publication: 2005
• a: 16.3679 ± 0.0003 Å
• b: 16.989 ± 0.0003 Å
• c: 18.9093 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5258.19 ± 0.17 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P b n 21
• Hall space group symbol: P 2c -2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No