Information card for entry 7048542

Structure parameters

• Formula: C24 H60 Br Fe K N2 O6 Si4
• Calculated formula: C24 H60 Br 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: 11.8367 ± 0.0006 Å
• b: 12.8422 ± 0.0007 Å
• c: 15.1912 ± 0.0009 Å
• α: 81.153 ± 0.002°
• β: 72.566 ± 0.002°
• γ: 65.531 ± 0.002°
• Cell volume: 2004.08 ± 0.19 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100.01 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: 0.0456
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No