Information card for entry 7121208

Structure parameters

• Formula: C55 H65 As5 Fe
• Calculated formula: C55 H65 As5 Fe
• SMILES: [As]12[As]3[As]4[As]5[As]1[Fe]16782345[c]2([c]1([c]7(c1ccc(CCCC)cc1)[c]6([c]82c1ccc(cc1)CCCC)c1ccc(CCCC)cc1)c1ccc(cc1)CCCC)c1ccc(CCCC)cc1
• 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: 13.4626 ± 0.0004 Å
• b: 13.7448 ± 0.0003 Å
• c: 16.0091 ± 0.0004 Å
• α: 92.777 ± 0.002°
• β: 114.468 ± 0.003°
• γ: 107.131 ± 0.002°
• Cell volume: 2526.71 ± 0.14 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No