Information card for entry 4335471

Structure parameters

• Formula: C54 H36 Fe N6
• Calculated formula: C54 H36 Fe N6
• Title of publication: Fe-TPP Coordination Network with Metalloporphyrinic Neutral Radicals and Face-to-Face and Edge-to-Face π-π Stacking
• Authors of publication: Arkaitz Fidalgo-Marijuan; Gotzone Barandika; Begoña Bazán; Miren Karmele Urtiaga; Luis Lezama; María Isabel Arriortua
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 8074 - 8081
• a: 21.6833 ± 0.0008 Å
• b: 11.0827 ± 0.0004 Å
• c: 17.6206 ± 0.0006 Å
• α: 90°
• β: 97.354 ± 0.003°
• γ: 90°
• Cell volume: 4199.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0513
• Residual factor for significantly intense reflections: 0.0351
• Weighted residual factors for significantly intense reflections: 0.0714
• Weighted residual factors for all reflections included in the refinement: 0.0738
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No