Information card for entry 7709595

Structure parameters

• Formula: C68 H70 Fe N4
• Calculated formula: C68 H70 Fe N4
• 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: 13.4458 ± 0.0003 Å
• b: 13.7445 ± 0.0003 Å
• c: 19.3806 ± 0.0005 Å
• α: 70.2161 ± 0.0014°
• β: 80.4435 ± 0.0018°
• γ: 61.8637 ± 0.0013°
• Cell volume: 2971.89 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.107
• Weighted residual factors for all reflections included in the refinement: 0.114
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No