Information card for entry 7132020

Structure parameters

• Formula: C25 H46 Fe O2 P2
• Calculated formula: C25 H46 Fe O2 P2
• Title of publication: Cooperative Bond Activations by a Tucked-In Iron Complex
• Authors of publication: Zurakowski, Joseph A.; Drover, Marcus W.
• Journal of publication: Chemical Communications
• Year of publication: 2023
• a: 18.7645 ± 0.001 Å
• b: 8.6734 ± 0.0004 Å
• c: 16.7609 ± 0.0009 Å
• α: 90°
• β: 100.195 ± 0.002°
• γ: 90°
• Cell volume: 2684.8 ± 0.2 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 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: 0.032
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0682
• Weighted residual factors for all reflections included in the refinement: 0.0714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No