Information card for entry 2311849

Structure parameters

• Chemical name: [1,1'-Bis(pyridin-2-yl)-2,2-bi(1<i>H</i>-imidazole)-κ<i>N</i>^3^][3,3'-bis(pyridin-2-yl-κ<i>N</i>)-1,1'-methanediylbi(1<i>H</i>-imidazol-2-yl-κ<i>C</i>^2^)](trimethylphosphane-κ<i>P</i>)iron(II) bis(hexafluoridophosphate)
• Formula: C36 H35 F12 Fe N12 P3
• Calculated formula: C36 H35 F12 Fe N12 P3
• Title of publication: Oxidative degradation of the organometallic iron(II) complex [Fe{bis[3-(pyridin-2-yl)-1H-imidazol-1-yl]methane}(MeCN)(PMe3)](PF6)2: structure of the ligand decomposition product trapped via coordination to iron(II).
• Authors of publication: Haslinger, Stefan; Pöthig, Alexander; Cokoja, Mirza; Kühn, Fritz E
• Journal of publication: Acta crystallographica. Section C, Structural chemistry
• Year of publication: 2015
• Journal volume: 71
• Journal issue: Pt 12
• Pages of publication: 1096 - 1099
• a: 10.1146 ± 0.0004 Å
• b: 12.1591 ± 0.0005 Å
• c: 17.7002 ± 0.0007 Å
• α: 97.219 ± 0.002°
• β: 97.02 ± 0.002°
• γ: 102.06 ± 0.002°
• Cell volume: 2087.05 ± 0.15 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 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: 0.0925
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1218
• Weighted residual factors for all reflections included in the refinement: 0.1354
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No