Information card for entry 7131070

Structure parameters

• Common name: Graham178b (Subhash)
• Formula: C44 H69 F Fe N2 O3 P2
• Calculated formula: C44 H68 F Fe N2 O3 P2
• Title of publication: Formation of distinct iron hydrides <i>via</i> mechanistic divergence in directed C-H Bond activation of aryl ketones, esters and amides.
• Authors of publication: Garhwal, Subhash; Panda, Jatin; Fridman, Natalia; Karton, Amir; de Ruiter, Graham
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 4
• Pages of publication: 426 - 429
• a: 11.18 ± 0.004 Å
• b: 14.559 ± 0.005 Å
• c: 13.993 ± 0.005 Å
• α: 90°
• β: 93.347 ± 0.009°
• γ: 90°
• Cell volume: 2273.8 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1239
• Weighted residual factors for all reflections included in the refinement: 0.1456
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No