Information card for entry 4062964

Structure parameters

• Formula: C20 H25 B F3 Mo N9 O4 S
• Calculated formula: C20 H25 B F3 Mo N9 O4 S
• SMILES: [Mo]1234([n]5[n](ccc5)[BH]([n]5[n]1ccc5)[n]1[n]2ccc1)([n]1cc[n](c1)C)(N=O)C1CCC[CH]4=[CH]31.S(=O)(=O)([O-])C(F)(F)F
• Title of publication: Transition Metal-Stabilized Arenium Cations: Protonation of Arenes Dihapto-Coordinated to π-Basic Metal Fragments
• Authors of publication: Joseph M. Keane; Mahendra D. Chordia; Christopher J. Mocella; Michal Sabat; Carl O. Trindle; W. Dean Harman
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 6806 - 6815
• a: 19.2002 ± 0.0011 Å
• b: 12.8053 ± 0.0007 Å
• c: 23.2887 ± 0.0013 Å
• α: 90°
• β: 110.996 ± 0.001°
• γ: 90°
• Cell volume: 5345.7 ± 0.5 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