Information card for entry 7032876

Structure parameters

• Common name: 5d.2(Me2CO) [Fe(k3-P,N,P-PNP-Me)2](CF3SO3)2.(Me2CO)2
• Chemical name: 5d.2(Me2CO) ‒ [Fe(k^3^-P,N,P-PNP-Me)~2~](CF~3~SO~3~)~2~.(Me~2~CO)~2~
• Formula: C26 H46 F6 Fe N6 O8 P4 S2
• Calculated formula: C26 H46 F6 Fe N6 O8 P4 S2
• Title of publication: Iron(II) complexes featuring κ3- and κ2-bound PNP pincer ligands‒the significance of sterics.
• Authors of publication: Glatz, Mathias; Bichler, Bernhard; Mastalir, Matthias; Stöger, Berthold; Weil, Matthias; Mereiter, Kurt; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 1
• Pages of publication: 281 - 294
• a: 13.6764 ± 0.0017 Å
• b: 18.291 ± 0.002 Å
• c: 16.39 ± 0.002 Å
• α: 90°
• β: 98.886 ± 0.002°
• γ: 90°
• Cell volume: 4050.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.1277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No