Information card for entry 7133958

Structure parameters

• Formula: C26 H48 Fe N4 O P2
• Calculated formula: C26 H48 Fe N4 O P2
• Title of publication: Synthesis of heteroleptic bis-phosphine bis-NHC iron (0) complexes: a strategy to enhance small molecule activation.
• Authors of publication: Andre, Christian M.; Szymczak, Nathaniel K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 95
• Pages of publication: 14037 - 14040
• a: 8.7819 ± 0.0003 Å
• b: 18.2197 ± 0.0004 Å
• c: 19.7713 ± 0.0004 Å
• α: 67.588 ± 0.002°
• β: 86.73 ± 0.002°
• γ: 87.945 ± 0.002°
• Cell volume: 2919.43 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No