Information card for entry 7031723

Structure parameters

• Formula: C110 H130 Fe2 S4
• Calculated formula: C110 H130 Fe2 S4
• 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: 14.1813 ± 0.0001 Å
• b: 15.5102 ± 0.0001 Å
• c: 23.3895 ± 0.0001 Å
• α: 107.255 ± 0.001°
• β: 101.438 ± 0.001°
• γ: 95.228 ± 0.001°
• Cell volume: 4753.33 ± 0.06 ų
• Cell temperature: 123 ± 0.3 K
• Ambient diffraction temperature: 123 ± 0.3 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: 0.0335
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No