Information card for entry 7031720

Structure parameters

• Formula: C57 H65 Fe O2 Se
• Calculated formula: C57 H65 Fe O2 Se
• Title of publication: Low temperature activation of S8, Sered and α-Te with [Cp(BIG)Fe(CO)2] radicals.
• Authors of publication: Heinl, S.; Scheer, M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 43
• Pages of publication: 16139 - 16142
• a: 13.7339 ± 0.0004 Å
• b: 14.0008 ± 0.0004 Å
• c: 14.5709 ± 0.0004 Å
• α: 105.226 ± 0.003°
• β: 92.08 ± 0.002°
• γ: 114.452 ± 0.003°
• Cell volume: 2427.18 ± 0.14 ų
• Cell temperature: 123.1 ± 0.1 K
• Ambient diffraction temperature: 123.1 ± 0.1 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: 0.0919
• Residual factor for significantly intense reflections: 0.0797
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.2548
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No