Information card for entry 4325262

Structure parameters

• Formula: C21 H26 F6 Mo N5 O2 P
• Calculated formula: C21 H26 F6 Mo N5 O2 P
• Title of publication: Topological Variations of the PDP Ligand and Its Prospects in Molybdenum(0) Dearomatization Agents
• Authors of publication: Benjamin K. Liebov; Caitlin E. Weigle; Kyle V. Keinath; Jennifer E. Leap; Robert D. Pike; Joseph M. Keane
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 4677 - 4679
• a: 13.1291 ± 0.0003 Å
• b: 14.0587 ± 0.0003 Å
• c: 13.2317 ± 0.0003 Å
• α: 90°
• β: 92.302 ± 0.001°
• γ: 90°
• Cell volume: 2440.31 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0783
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No