Information card for entry 7007810

Structure parameters

• Formula: C23 H48 Br2 Fe N O2 P4
• Calculated formula: C23 H48 Br2 Fe N O2 P4
• Title of publication: Solvent dependent reactivity: solvent activation vs. solvent coordination in alkylphosphane iron complexes.
• Authors of publication: Kohl, Stephan W.; Heinemann, Frank W.; Hummert, Markus; Bauer, Walter; Grohmann, Andreas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 47
• Pages of publication: 5583 - 5592
• a: 10.5483 ± 0.0006 Å
• b: 12.3 ± 0.002 Å
• c: 12.043 ± 0.002 Å
• α: 90°
• β: 110.33 ± 0.007°
• γ: 90°
• Cell volume: 1465.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0363
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No