Information card for entry 7129598

Structure parameters

• Chemical name: Compound 5
• Formula: C20 H32 Cl2 Fe P4
• Calculated formula: C20 H32 Cl2 Fe P4
• 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: 8.9554 ± 0.0005 Å
• b: 11.4309 ± 0.0006 Å
• c: 12.4135 ± 0.0009 Å
• α: 90°
• β: 110.928 ± 0.002°
• γ: 90°
• Cell volume: 1186.92 ± 0.13 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 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: 0.064
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No