Information card for entry 7119193

Structure parameters

• Formula: C55 H84 B Cl Fe N6 O
• Calculated formula: C55 H84 B Cl Fe N6 O
• 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: 11.3237 ± 0.0019 Å
• b: 25.174 ± 0.004 Å
• c: 19.208 ± 0.003 Å
• α: 90°
• β: 104.37 ± 0.009°
• γ: 90°
• Cell volume: 5304.2 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0882
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections included in the refinement: 0.132
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No