Information card for entry 4329916

Structure parameters

• Formula: C27 H23 Fe2 I3 N3 P
• Calculated formula: C27 H23 Fe2 I3 N3 P0.978
• 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: 12.0077 ± 0.001 Å
• b: 17.2096 ± 0.0014 Å
• c: 13.8818 ± 0.0011 Å
• α: 90°
• β: 99.153 ± 0.002°
• γ: 90°
• Cell volume: 2832.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No