Information card for entry 7048547

Structure parameters

• Formula: C31 H67 Fe K N2 O6 Si4
• Calculated formula: C31 H67 Fe K N2 O6 Si4
• 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: 9.0328 ± 0.0009 Å
• b: 19.98 ± 0.002 Å
• c: 24.078 ± 0.003 Å
• α: 91.857 ± 0.004°
• β: 94.986 ± 0.004°
• γ: 92.202 ± 0.004°
• Cell volume: 4323.1 ± 0.8 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.123
• Residual factor for significantly intense reflections: 0.1083
• Weighted residual factors for significantly intense reflections: 0.2652
• Weighted residual factors for all reflections included in the refinement: 0.2697
• Goodness-of-fit parameter for all reflections included in the refinement: 1.168
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No