Information card for entry 7119195

Structure parameters

• Formula: C54.25 H65 B Fe N8 P
• Calculated formula: C54.25 H65 B Fe N8 P
• Title of publication: Arrested α-hydride migration activates a phosphido ligand for C-H insertion.
• Authors of publication: Hickey, Anne K.; Muñoz, Salvador B; Lutz, Sean A.; Pink, Maren; Chen, Chun-Hsing; Smith, Jeremy M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 412 - 415
• a: 16.1882 ± 0.0006 Å
• b: 21.3706 ± 0.0008 Å
• c: 29.4853 ± 0.001 Å
• α: 90°
• β: 100.31 ± 0.0018°
• γ: 90°
• Cell volume: 10035.8 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.062
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No