Information card for entry 7028915

Structure parameters

• Chemical name: [K(2,2,2-crypt)]2[Fe3{O4[Si(Me)2]3}2{O3[Si(Me)2]2}2]
• Formula: C55.54 H130.62 Fe3 K2 N4 O25.77 Si9.77
• Calculated formula: C55.5412 H130.624 Fe3 K2 N4 O25.7706 Si9.7706
• 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: 10.611 ± 0.0002 Å
• b: 13.5342 ± 0.0002 Å
• c: 16.7124 ± 0.0003 Å
• α: 102.789 ± 0.002°
• β: 95.55 ± 0.002°
• γ: 102.524 ± 0.002°
• Cell volume: 2258.3 ± 0.07 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.3 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: 0.0544
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1227
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No