Information card for entry 7719358

Structure parameters

• Formula: C42.75 H62 Fe N P2
• Calculated formula: C42.75 H62 Fe N 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: 17.84234 ± 0.0001 Å
• b: 20.10737 ± 0.00011 Å
• c: 23.79615 ± 0.00014 Å
• α: 90°
• β: 110.388 ± 0.0006°
• γ: 90°
• Cell volume: 8002.36 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No