Information card for entry 7114195

Structure parameters

• Formula: C30 H35 B F4 Mo O3 P2
• Calculated formula: C30 H32 B F4 Mo O3 P2
• Title of publication: Ligand exchange reactions within the coordination sphere of a molybdenum ??2(4e)-alkyne complex: the formation of an indole in a cascade reaction involving an alkyne and isonitrile ligands
• Authors of publication: Jeffery, John C.; Green, Michael; Lynam, Jason M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 24
• Pages of publication: 3056
• a: 12.0856 ± 0.0013 Å
• b: 21.494 ± 0.002 Å
• c: 11.8962 ± 0.0013 Å
• α: 90°
• β: 97.473 ± 0.002°
• γ: 90°
• Cell volume: 3064 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.046
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.1006
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No