Information card for entry 4077932

Structure parameters

• Formula: C25 H27 F12 Fe N9 P2
• Calculated formula: C25 H27 F12 Fe N9 P2
• Title of publication: Synthesis and Characterization of Novel Iron(II) Complexes with Tetradentate Bis(N-heterocyclic carbene)‒Bis(pyridine) (NCCN) Ligands
• Authors of publication: Raba, Andreas; Cokoja, Mirza; Ewald, Stefan; Riener, Korbinian; Herdtweck, Eberhardt; Pöthig, Alexander; Herrmann, Wolfgang A.; Kühn, Fritz E.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 7
• Pages of publication: 2793
• a: 12.2592 ± 0.0004 Å
• b: 12.3475 ± 0.0004 Å
• c: 13.4771 ± 0.0008 Å
• α: 100.749 ± 0.002°
• β: 105.64 ± 0.002°
• γ: 118.072 ± 0.001°
• Cell volume: 1611.2 ± 0.13 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 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: 0.0342
• Residual factor for significantly intense reflections: 0.0301
• Weighted residual factors for significantly intense reflections: 0.0767
• Weighted residual factors for all reflections included in the refinement: 0.0801
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No