Information card for entry 7028911

Structure parameters

• Chemical name: [K(18-crown-6)THF][Fe(mes)3]
• Formula: C43 H65 Fe K O7
• Calculated formula: C43 H65 Fe K O7
• 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: 33.7821 ± 0.0005 Å
• b: 10.7707 ± 0.0001 Å
• c: 24.2239 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8814.03 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0808
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections included in the refinement: 0.131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No