Information card for entry 7048548

Structure parameters

• Formula: C24 H60 Br2 Fe K N2 O6 Si4
• Calculated formula: C24 H60 Br2 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: 12.1198 ± 0.0005 Å
• b: 18.0228 ± 0.0007 Å
• c: 20.7923 ± 0.0009 Å
• α: 111.893 ± 0.001°
• β: 98.352 ± 0.002°
• γ: 99.436 ± 0.001°
• Cell volume: 4050.1 ± 0.3 ų
• Cell temperature: 100.02 K
• Ambient diffraction temperature: 100 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: 0.0406
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No