Information card for entry 7716825

Structure parameters

• Formula: C26 H16 F6 Fe N4 O6 S4
• Calculated formula: C26 H16 F6 Fe N4 O6 S4
• Title of publication: Hydrogen evolution driven by heteroatoms of bidentate N-heterocyclic ligands in iron(II) complexes
• Authors of publication: Keszei, Soma József; Wang, Yiqing; Zhou, Haotian; Ollár, Tamás; Kováts, Éva; Frey, Krisztina; Tapasztó, Levente; Shen, Shaohua; Pap, József S
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.3143 ± 0.0003 Å
• b: 18.4365 ± 0.0005 Å
• c: 21.3177 ± 0.0007 Å
• α: 108.81 ± 0.002°
• β: 99.028 ± 0.003°
• γ: 100.433 ± 0.002°
• Cell volume: 2959.58 ± 0.18 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0862
• Residual factor for significantly intense reflections: 0.0629
• Weighted residual factors for significantly intense reflections: 0.1557
• Weighted residual factors for all reflections included in the refinement: 0.1734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No