Information card for entry 4317224

Structure parameters

• Formula: C31 H29 F20 Fe N9 P3
• Calculated formula: C31 H29 F20 Fe N9 P3
• Title of publication: First-Row Transition Metal Complexes of the Strongly Donating Pentadentate Ligand PY4Im
• Authors of publication: Jeremy M. Smith; Jeffrey R. Long
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 11223 - 11230
• a: 14.868 ± 0.003 Å
• b: 21.448 ± 0.004 Å
• c: 14.278 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4553.1 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0796
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1867
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No