Information card for entry 1576122

Structure parameters

• Formula: C22 H42 Fe O2 P4
• Calculated formula: C22 H42 Fe O2 P4
• Title of publication: Molecular-level insight into the multiple mechanistic pathways in iron-catalysed alkene dimerisation.
• Authors of publication: Cockcroft, Joseph H. P.; Flook, Annabel; Boaler, Patrick J.; Nichol, Gary S.; Holt, Jarle; Smit, Joost; Garden, Jennifer A.; Thomas, Stephen P.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 47
• Pages of publication: 22394 - 22406
• a: 9.1635 ± 0.0006 Å
• b: 15.4314 ± 0.0011 Å
• c: 18.7645 ± 0.0013 Å
• α: 90°
• β: 99.482 ± 0.006°
• γ: 90°
• Cell volume: 2617.2 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 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: 0.0822
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2024
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No