Information card for entry 7041360

Structure parameters

• Formula: C14 H12 Fe0.75 N5.5 O0.5
• Calculated formula: C14 H12 Fe0.75 N5.5 O0.5
• Title of publication: Tuning the iron redox state inside a microporous porphyrinic metal organic framework.
• Authors of publication: Abeykoon, Brian; Grenèche, Jean-Marc; Jeanneau, Erwann; Chernyshov, Dmitry; Goutaudier, Christelle; Demessence, Aude; Devic, Thomas; Fateeva, Alexandra
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 2
• Pages of publication: 517 - 523
• a: 7.16 ± 0.002 Å
• b: 34.398 ± 0.011 Å
• c: 19.626 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4834 ± 2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 65
• Hermann-Mauguin space group symbol: C m m m
• Hall space group symbol: -C 2 2
• Residual factor for all reflections: 0.124
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections: 0.2757
• Weighted residual factors for significantly intense reflections: 0.215
• Weighted residual factors for all reflections included in the refinement: 0.2757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0065
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No