Information card for entry 7032871

Structure parameters

• Common name: [Fe(k3-P,N,P-PNP-Et)(k2-P,N-PNP-Et)Cl]BPhMe4.3THF
• Chemical name: 2c.3THF ‒ [Fe(k^3^-P,N,P-PNP-Et)(k^2^-P,N-PNP-Et)Cl].BPh^Me^~4~.3THF
• Formula: C66 H102 B Cl Fe N6 O3.16 P4
• Calculated formula: C66 H102 B Cl Fe N6 O3.162 P4
• 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: 12.725 ± 0.002 Å
• b: 15.628 ± 0.003 Å
• c: 18.643 ± 0.003 Å
• α: 75.44 ± 0.006°
• β: 70.622 ± 0.006°
• γ: 86.483 ± 0.006°
• Cell volume: 3384.1 ± 1 ų
• Cell temperature: 100 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: 0.062
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1112
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No