Information card for entry 7709591

Structure parameters

• Formula: C38 H45 F3 Fe N4 O3 S
• Calculated formula: C38 H45 F3 Fe N4 O3 S
• Title of publication: Iron(II) Complexes Supported by Pyrazolyl-Substituted Cyclopentadienyl Ligands: Synthesis and Characterization
• Authors of publication: Rungthanaphatsophon, Pokpong; Rath, Nigam; Neely, Jamie
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 19.996 ± 0.002 Å
• b: 15.5867 ± 0.0017 Å
• c: 24.582 ± 0.003 Å
• α: 90°
• β: 105.866 ± 0.005°
• γ: 90°
• Cell volume: 7369.6 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.075
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1439
• Weighted residual factors for all reflections included in the refinement: 0.1514
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No