Information card for entry 7105361

Structure parameters

• Formula: C85 H87.5 F12 Mo2 N2.5 P6 Si2
• Calculated formula: C85 H87.5 F12 Mo2 N2.5 P6 Si2
• 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: 14.9839 ± 0.0009 Å
• b: 25.168 ± 0.0016 Å
• c: 25.8486 ± 0.0017 Å
• α: 90°
• β: 118.889 ± 0.001°
• γ: 90°
• Cell volume: 8534.8 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1156
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.901
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No