Information card for entry 7719356

Structure parameters

• Formula: C23 H45 Fe N3 P2
• Calculated formula: C23 H45 Fe N3 P2
• Title of publication: Distinct reactivity of iron dihydride <i>vs.</i> iron(hydride)(borohydride) bearing the same bulky PNP ligand in hydrogenation of alkenes and alkynes.
• Authors of publication: Pandey, Dilip K.; Gridneva, Tatiana; Khaskin, Eugene; Fayzullin, Robert R.; Vasylevskyi, Serhii; Khusnutdinova, Julia R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 39
• Pages of publication: 14809 - 14820
• a: 21.6268 ± 0.0003 Å
• b: 8.65623 ± 0.00018 Å
• c: 28.0781 ± 0.0004 Å
• α: 90°
• β: 103.092 ± 0.0016°
• γ: 90°
• Cell volume: 5119.79 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0597
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1447
• Weighted residual factors for all reflections included in the refinement: 0.1508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No