Information card for entry 7709588

Structure parameters

• Formula: C37 H45 Fe N7
• Calculated formula: C37 H45 Fe N7
• 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: 17.802 ± 0.0007 Å
• b: 10.92 ± 0.0004 Å
• c: 18.94 ± 0.0007 Å
• α: 90°
• β: 114.84 ± 0.002°
• γ: 90°
• Cell volume: 3341.3 ± 0.2 ų
• Cell temperature: 104 ± 2 K
• Ambient diffraction temperature: 104 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0689
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.152
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No