Information card for entry 7028910

Structure parameters

• Chemical name: K[Fe(mes)(IPr-H)2]*hex*0.5THF
• Formula: C71 H99 Fe K N4 O0.5
• Calculated formula: C71 H99 Fe K N4 O0.5
• Title of publication: Iron(ii) complexes of ditopic carbanionic carbenes.
• Authors of publication: Musgrave, Rebecca A.; Turbervill, Robert S. P.; Irwin, Mark; Herchel, Radovan; Goicoechea, Jose M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 11
• Pages of publication: 4335 - 4344
• a: 12.7856 ± 0.0003 Å
• b: 14.2917 ± 0.0005 Å
• c: 19.9211 ± 0.0007 Å
• α: 71.953 ± 0.003°
• β: 85.004 ± 0.002°
• γ: 74.811 ± 0.002°
• Cell volume: 3340.08 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0772
• Residual factor for significantly intense reflections: 0.0633
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1856
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No