Information card for entry 7041361

Structure parameters

• Formula: C52 H24 Fe3 N22 O2
• Calculated formula: C52 H24 Fe3 N22 O2
• 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: 6.753 ± 0.0002 Å
• b: 35.275 ± 0.0011 Å
• c: 19.2653 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4589.2 ± 0.3 ų
• Cell temperature: 250 K
• Ambient diffraction temperature: 250 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: 0.0611
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for all reflections: 0.1349
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1349
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9586
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.95374 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No