Information card for entry 7129599

Structure parameters

• Formula: C38 H57 B2 Cl Fe P2
• Calculated formula: C38 H57 B2 Cl Fe P2
• 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: 12.5361 ± 0.0008 Å
• b: 11.7955 ± 0.0007 Å
• c: 30.901 ± 0.002 Å
• α: 90°
• β: 91.299 ± 0.002°
• γ: 90°
• Cell volume: 4568.1 ± 0.5 ų
• Cell temperature: 170 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 6
• 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: 0.0801
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.153
• Weighted residual factors for all reflections included in the refinement: 0.1599
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No