Information card for entry 4086170

Structure parameters

• Common name: [Fe(CNtBu)2(NPPN)](BF4)2 ú 0.70 H2O
• Formula: C50 H65.39 B2 F8 Fe N4 O0.7 P2
• Calculated formula: C50 H65.396 B2 F8 Fe N4 O0.698 P2
• Title of publication: Chiral Iron(II) NPPN Complexes: Synthesis and Application in the Asymmetric Strecker Reaction of Azomethine Imines
• Authors of publication: Huber, Raffael; Bigler, Raphael; Mezzetti, Antonio
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 3374
• a: 10.954 ± 0.0004 Å
• b: 10.954 ± 0.0004 Å
• c: 41.6585 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4998.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.0911
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No