Information card for entry 7031721

Structure parameters

• Formula: C229 H265 Cl2 Fe4 N O6 Se4
• Calculated formula: C229 H265 Cl2 Fe4 N O6 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: 14.1706 ± 0.0004 Å
• b: 19.543 ± 0.0006 Å
• c: 19.6307 ± 0.0005 Å
• α: 74.04 ± 0.003°
• β: 82.507 ± 0.002°
• γ: 75.027 ± 0.003°
• Cell volume: 5039.1 ± 0.3 ų
• Cell temperature: 123.4 ± 0.7 K
• Ambient diffraction temperature: 123.4 ± 0.7 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1634
• Weighted residual factors for all reflections included in the refinement: 0.1691
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No