Information card for entry 1568062

Structure parameters

• Chemical name: μ-Oxo-bis[(octacosafluoro-meso-tetraphenylporphyrinato)iron(III)]
• Formula: C88 H4 F56 Fe2 N8 O3
• Calculated formula: C88 F56 Fe2 N8 O3
• Title of publication: μ-Oxo-bis[(octacosafluoro-<i>meso</i>-tetraphenylporphyrinato)iron(iii)] - synthesis, crystal structure, and catalytic activity in oxidation reactions.
• Authors of publication: Schuh, Tristan; Kataeva, Olga; Knölker, Hans-Joachim
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 2
• Pages of publication: 257 - 265
• a: 29.489 ± 0.007 Å
• b: 29.489 Å
• c: 20.678 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17982 ± 6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 130
• Hermann-Mauguin space group symbol: P 4/n c c :2
• Hall space group symbol: -P 4a 2ac
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1568
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No