Information card for entry 7719044

Structure parameters

• Formula: C50 H34 Fe2 N4 Ni
• Calculated formula: C50 H34 Fe2 N4 Ni
• Title of publication: Ferrocene unit substitution in nickel(II) porphyrin(2.1.2.1) induces an extremely low oxygen evolution reaction overpotential.
• Authors of publication: Jiang, Tao; Hu, Yiping; Liang, Sihan; Qiu, Fengxian; Huang, Hongliang; Zhou, Mingbo; Xue, Songlin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 21
• Pages of publication: 8580 - 8585
• a: 11.5014 ± 0.0003 Å
• b: 25.4039 ± 0.0006 Å
• c: 13.9123 ± 0.0004 Å
• α: 90°
• β: 105.602 ± 0.003°
• γ: 90°
• Cell volume: 3915.12 ± 0.19 ų
• Cell temperature: 99.98 ± 0.13 K
• Ambient diffraction temperature: 99.98 ± 0.13 K
• Number of distinct elements: 5
• 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: 0.0844
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1403
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.3405 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No