Information card for entry 7114196

Structure parameters

• Formula: C67.25 H60 B F4 Mo N5
• Calculated formula: C67.25 H60 B F4 Mo N5
• 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: 18.992 ± 0.002 Å
• b: 36.245 ± 0.004 Å
• c: 16.5204 ± 0.0018 Å
• α: 90°
• β: 93.07 ± 0.002°
• γ: 90°
• Cell volume: 11356 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1072
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for significantly intense reflections: 0.1625
• Weighted residual factors for all reflections included in the refinement: 0.1838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No