Information card for entry 4114302

Structure parameters

• Formula: C62 H52 B F24 Mo2 O2 P
• Calculated formula: C62 H52 B F24 Mo2 O2 P
• SMILES: [Mo]123456789(P=[Mo]%10%11%12%13([cH]%14[cH]%10[cH]%11[cH]%12[cH]%13%14)(C#[O])C#[O])([cH]%10[c]5([cH]4[c]3([cH]2[c]1%10C(C)(C)C)C(C)(C)C)C(C)(C)C)[cH]1[cH]9[cH]8[cH]7[cH]61.[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)c1cc(cc(c1)C(F)(F)F)C(F)(F)F
• Title of publication: Ten-Electron Coordination and Reactivity of an Arylphosphinidene Ligand
• Authors of publication: M. Esther García; Víctor Riera; Miguel A. Ruiz; David Sáez; Hayrullo Hamidov; John C. Jeffery; Thomas Riis-Johannessen
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 13044 - 13045
• a: 15.1853 ± 0.0003 Å
• b: 21.1676 ± 0.0005 Å
• c: 19.476 ± 0.0004 Å
• α: 90°
• β: 98.695 ± 0.001°
• γ: 90°
• Cell volume: 6188.3 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0452
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 1.54185 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No