Information card for entry 4329914

Structure parameters

• Formula: C29 H23 F6 Fe2 N3 O6 S2 Se
• Calculated formula: C29 H23 F6 Fe2 N3 O6 S2 Se
• Title of publication: The Syntheses and Electrochemical Studies of a Ferrocene Substituted Diiminopyridine Ligand and Its P, S, Se, and Te Complexes
• Authors of publication: Eleanor Magdzinski; Pierangelo Gobbo; Caleb D. Martin; Mark S. Workentin; Paul J. Ragogna
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 8425 - 8432
• a: 10.7138 ± 0.0009 Å
• b: 11.5291 ± 0.0009 Å
• c: 13.616 ± 0.0011 Å
• α: 104.007 ± 0.002°
• β: 94.864 ± 0.003°
• γ: 107.862 ± 0.002°
• Cell volume: 1530 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0453
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No