Information card for entry 7119197

Structure parameters

• Formula: C34.68 H48.19 B Fe N6 O0.42 P
• Calculated formula: C34.676 H48.19 B Fe N6 O0.419 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: 37.4525 ± 0.0014 Å
• b: 16.3865 ± 0.0006 Å
• c: 11.13 ± 0.0004 Å
• α: 90°
• β: 90.917 ± 0.002°
• γ: 90°
• Cell volume: 6829.8 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0576
• Weighted residual factors for significantly intense reflections: 0.1469
• Weighted residual factors for all reflections included in the refinement: 0.1558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No