Information card for entry 7132018

Structure parameters

• Formula: C48 H67 B Fe N2 P2
• Calculated formula: C48 H67 B Fe N2 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: 10.4118 ± 0.001 Å
• b: 14.7221 ± 0.0014 Å
• c: 15.2322 ± 0.0016 Å
• α: 96.196 ± 0.004°
• β: 93.28 ± 0.004°
• γ: 105.849 ± 0.004°
• Cell volume: 2223.8 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 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: 0.0753
• Residual factor for significantly intense reflections: 0.0542
• Weighted residual factors for significantly intense reflections: 0.1317
• Weighted residual factors for all reflections included in the refinement: 0.1458
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No