Information card for entry 7718450

Structure parameters

• Formula: C17 H11 Fe2 N O9 S2
• Calculated formula: C17 H11 Fe2 N O9 S2
• Title of publication: Enhancing the hydrogen evolution activity of diiron molecular electrocatalysts by modulating the substituent effect of carbon nanotubes.
• Authors of publication: Zhao, Pei-Hua; Wang, Shao-Jie; Wei, Fan-Zeng; Su, Xue; Gao, Hui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 18
• Pages of publication: 7315 - 7324
• a: 8.9906 ± 0.0004 Å
• b: 9.5508 ± 0.0004 Å
• c: 13.0824 ± 0.0006 Å
• α: 90.398 ± 0.002°
• β: 109.325 ± 0.002°
• γ: 91.029 ± 0.002°
• Cell volume: 1059.79 ± 0.08 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0335
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No