Information card for entry 4313626

Structure parameters

• Formula: C38 H28 F6 Fe N12 O8 S2
• Calculated formula: C38 H28 F6 Fe N11 O9.01 S2
• Title of publication: Iron-Promoted Nucleophilic Additions to Diimine-Type Ligands: A Synthetic and Structural Study
• Authors of publication: Ana Tesouro Vallina; Helen Stoeckli-Evans; Antonia Neels; Jürgen Ensling; Silvio Decurtins
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3374 - 3382
• a: 11.5521 ± 0.0009 Å
• b: 19.1275 ± 0.0009 Å
• c: 19.795 ± 0.0017 Å
• α: 90°
• β: 96.467 ± 0.01°
• γ: 90°
• Cell volume: 4346.1 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• 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: 0.1533
• Residual factor for significantly intense reflections: 0.0759
• Weighted residual factors for significantly intense reflections: 0.1827
• Weighted residual factors for all reflections included in the refinement: 0.2128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.838
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No