Information card for entry 7105360

Structure parameters

• Formula: C24 H24 F6 Mo N2 P Si
• Calculated formula: C24 H24 F6 Mo N2 P Si
• SMILES: [Mo]1234567([n]8ccccc8c8[n]1cccc8)([cH]1[cH]7[cH]6[cH]5[cH]4[cH]3[cH]21)C#CC#C[Si](C)(C)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Metal-stabilised diynyl radicals: structure and reactivity of [Mo(C[triple bond]C-C[triple bond]CSiMe3)L2(eta-C7H7)]*+ (L2 = 2,2'-bipyridine or dppe).
• Authors of publication: Brown, Neil J; Collison, David; Edge, Ruth; Fitzgerald, Emma C; Low, Paul J; Helliwell, Madeleine; Ta, Yien T; Whiteley, Mark W
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 13
• Pages of publication: 2253 - 2255
• a: 8.068 ± 0.005 Å
• b: 12.306 ± 0.005 Å
• c: 14.276 ± 0.005 Å
• α: 111.281 ± 0.005°
• β: 96.047 ± 0.005°
• γ: 105.029 ± 0.005°
• Cell volume: 1243.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1824
• Residual factor for significantly intense reflections: 0.0927
• Weighted residual factors for significantly intense reflections: 0.1906
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 0.883
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No