Information card for entry 4062676

Structure parameters

• Formula: C21 H25 B F3 N7 O6 S W
• Calculated formula: C21 H25 B F3 N7 O6 S W
• SMILES: C(#[O])[W]12(C#[O])(C#[O])([N]#CC)[n]3c(C)cc(C)[n]3[BH]([n]3c(cc(C)[n]13)C)[n]1c(cc(C)[n]21)C.C(F)(F)(F)S(=O)(=O)[O-]
• Journal of publication: Organometallics
• Year of publication: 2004
• a: 14.2114 ± 0.0017 Å
• b: 14.0071 ± 0.0017 Å
• c: 14.5748 ± 0.0018 Å
• α: 90°
• β: 104.087 ± 0.002°
• γ: 90°
• Cell volume: 2814 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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