Information card for entry 7129600

Structure parameters

• Chemical name: FeCp*(dvpe)Cl
• Formula: C80 H124 Cl4 Fe4 P8
• Calculated formula: C80 H124 Cl4 Fe4 P8
• Title of publication: Bis(1-Bora-4-phosphorinane) Ring Closure at Cp*M (M = Fe, Co) Complexes
• Authors of publication: Zurakowski, Joseph A.; Austen, Brady; Brown, Kasey C.; Drover, Marcus W.
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 16.0479 ± 0.0007 Å
• b: 28.4512 ± 0.0013 Å
• c: 18.5315 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8461.1 ± 0.7 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0702
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.0978
• Weighted residual factors for all reflections included in the refinement: 0.1081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No