Information card for entry 7031724

Structure parameters

• Formula: C113.5 H136.25 Cl4 Fe2 N0.75 Se4
• Calculated formula: C112 H134 Cl4 Fe2 Se4
• 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: 22.119 ± 0.0004 Å
• b: 22.2233 ± 0.0005 Å
• c: 23.0616 ± 0.0003 Å
• α: 90.382 ± 0.001°
• β: 92.79 ± 0.001°
• γ: 112.446 ± 0.002°
• Cell volume: 10460.9 ± 0.4 ų
• Cell temperature: 128 ± 7 K
• Ambient diffraction temperature: 128 ± 7 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0749
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1608
• Weighted residual factors for all reflections included in the refinement: 0.1683
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No