Information card for entry 7028909

Structure parameters

• Chemical name: [Fe(6-Xyl)(mes)2]
• Formula: C38 H46 Fe N2
• Calculated formula: C38 H46 Fe N2
• 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: 21.1298 ± 0.0003 Å
• b: 9.8555 ± 0.0001 Å
• c: 17.0866 ± 0.0003 Å
• α: 90°
• β: 116.231 ± 0.002°
• γ: 90°
• Cell volume: 3191.77 ± 0.1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No