Information card for entry 7121207

Structure parameters

• Formula: C112 H130 Fe2 O2 P4
• Calculated formula: C112 H130 Fe2 O2 P4
• Title of publication: Unexpected differences in the reactivity between the phosphorus and arsenic derivatives [(Cp^BIGFe)₂(μ,η^4:4-E₄)] (E = P and As).
• Authors of publication: Heinl, S.; Timoshkin, A. Y.; Müller, J; Scheer, M.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 2244 - 2247
• a: 12.4226 ± 0.0003 Å
• b: 13.5015 ± 0.0002 Å
• c: 16.1699 ± 0.0003 Å
• α: 106.698 ± 0.002°
• β: 103.359 ± 0.002°
• γ: 101.267 ± 0.002°
• Cell volume: 2425.67 ± 0.1 ų
• Cell temperature: 123 ± 0.3 K
• Ambient diffraction temperature: 123 ± 0.3 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No