Information card for entry 7048549

Structure parameters

• Formula: C72 H180 F3 Fe3 K3 N6 O18 Si12
• Calculated formula: C72 H180 F3 Fe3 K3 N6 O18 Si12
• Title of publication: C-Halide bond cleavage by a two-coordinate iron(i) complex.
• Authors of publication: Werncke, C. G.; Pfeiffer, J.; Müller, I; Vendier, L.; Sabo-Etienne, S; Bontemps, S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 5
• Pages of publication: 1757 - 1765
• a: 19.1913 ± 0.0005 Å
• b: 12.5055 ± 0.0003 Å
• c: 47.8877 ± 0.0013 Å
• α: 90°
• β: 92.617 ± 0.001°
• γ: 90°
• Cell volume: 11480.9 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0364
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0772
• Weighted residual factors for all reflections included in the refinement: 0.079
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No