Information card for entry 7134502

Structure parameters

• Chemical name: Fe(III)ClTPPMe4
• Formula: C48 H36 Cl Fe N4
• Calculated formula: C48 H36 Cl Fe N4
• Title of publication: Unveiling the potential of tailored β-substituted iron-porphyrins for highly efficient oxygen reduction reactions (ORR)
• Authors of publication: Rathi, Shivani; Ahmad, Ikrar; Sankar, Muniappan
• Journal of publication: Chemical Communications
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 47
• Pages of publication: 8512 - 8515
• a: 11.5966 ± 0.0003 Å
• b: 12.6443 ± 0.0003 Å
• c: 14.8717 ± 0.0004 Å
• α: 68.725 ± 0.001°
• β: 70.726 ± 0.001°
• γ: 67.345 ± 0.001°
• Cell volume: 1828.74 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1016
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No