Information card for entry 7121210

Structure parameters

• Formula: C166 H196.5 As6 Fe3 N0.5
• Calculated formula: C166 H196.5 As6 Fe3 N0.5
• 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: 17.9595 ± 0.0004 Å
• b: 20.6577 ± 0.0005 Å
• c: 23.1771 ± 0.0003 Å
• α: 98.9194 ± 0.0014°
• β: 106.184 ± 0.0014°
• γ: 114.402 ± 0.002°
• Cell volume: 7152.4 ± 0.3 ų
• Cell temperature: 122.9 ± 0.5 K
• Ambient diffraction temperature: 122.9 ± 0.5 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: 0.0742
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1831
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No