Information card for entry 7032875

Structure parameters

• Common name: 5a*6.5THF [Fe(k3-PNP-bipol)2](CF3SO3)2*6.5THF 1681
• Chemical name: 5a.6.5THF ‒ [Fe(k^3^-PNP-bipol)~2~](CF~3~SO~3~)~2~.6.5THF
• Formula: C86 H94 F6 Fe N6 O20.5 P4 S2
• Calculated formula: C85.974 H90 F6 Fe N6 O20.73 P4 S1.974
• 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: 13.4039 ± 0.0008 Å
• b: 16.9467 ± 0.0009 Å
• c: 20.9385 ± 0.0013 Å
• α: 78.058 ± 0.004°
• β: 80.833 ± 0.004°
• γ: 68.818 ± 0.003°
• Cell volume: 4320.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1353
• Residual factor for significantly intense reflections: 0.113
• Weighted residual factors for significantly intense reflections: 0.2895
• Weighted residual factors for all reflections included in the refinement: 0.3093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No