Information card for entry 7031719

Structure parameters

• Formula: C112 H130 Fe2 O2 Se4
• Calculated formula: C112 H130 Fe2 O2 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: 13.4614 ± 0.0001 Å
• b: 28.5802 ± 0.0002 Å
• c: 13.7406 ± 0.0001 Å
• α: 90°
• β: 114.394 ± 0.001°
• γ: 90°
• Cell volume: 4814.48 ± 0.07 ų
• Cell temperature: 123 ± 0.2 K
• Ambient diffraction temperature: 123 ± 0.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0556
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.1479
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No