Information card for entry 4100961

Structure parameters

• Formula: C51 H36 F9 N2 O5 P2 Re S
• Calculated formula: C51 H36 F9 N2 O5 P2 Re S
• SMILES: [Re]1([P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)([P](c2ccc(F)cc2)(c2ccc(F)cc2)c2ccc(F)cc2)([n]2ccc(cc2c2[n]1ccc(c2)C)C)(C#[O])C#[O].C(S(=O)(=O)[O-])(F)(F)F
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2005
• a: 15.5782 ± 0.0016 Å
• b: 13.5247 ± 0.0011 Å
• c: 13.0531 ± 0.0009 Å
• α: 116.249 ± 0.003°
• β: 79.374 ± 0.006°
• γ: 95.966 ± 0.004°
• Cell volume: 2423.5 ± 0.4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No