Information card for entry 7133957

Structure parameters

• Formula: C25 H48 Fe N6 P2
• Calculated formula: C25 H48 Fe N6 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
• Year of publication: 2024
• a: 9.0126 ± 0.0001 Å
• b: 14.3811 ± 0.0002 Å
• c: 22.2186 ± 0.0002 Å
• α: 90°
• β: 98.161 ± 0.001°
• γ: 90°
• Cell volume: 2850.61 ± 0.06 ų
• Cell temperature: 80 K
• Ambient diffraction temperature: 80 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: 0.0293
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0711
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0479
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No