Information card for entry 7132019

Structure parameters

• Formula: C24 H46 Fe P2
• Calculated formula: C24 H46 Fe P2
• SMILES: [Fe]123456([P](CCC)(CC[P]1(CCC)CCC)CCC)[C]1(=[C]3([C]2(=[C]5([C]61=[CH2]4)C)C)C)C
• 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: 8.3558 ± 0.0012 Å
• b: 9.4334 ± 0.0016 Å
• c: 16.5656 ± 0.0018 Å
• α: 82.946 ± 0.009°
• β: 82.104 ± 0.009°
• γ: 77.117 ± 0.008°
• Cell volume: 1255.1 ± 0.3 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0369
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0657
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No