Information card for entry 7007809

Structure parameters

• Formula: C25 H44 F6 Fe N2 O6 P4 S2
• Calculated formula: C25 H44 F6 Fe N2 O6 P4 S2
• 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: 14.305 ± 0.001 Å
• b: 19.793 ± 0.002 Å
• c: 25.205 ± 0.002 Å
• α: 90°
• β: 94.336 ± 0.005°
• γ: 90°
• Cell volume: 7116.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0549
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0769
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No