Information card for entry 1558032

Structure parameters

• Common name: Iron Diesterporphyrin
• Chemical name: FeDEsP
• Formula: C152 H112 Fe4 N16 O18
• Calculated formula: C152 H109 Fe4 N16 O18
• Title of publication: The role of porphyrin peripheral substituents in determining the reactivities of ferrous nitrosyl species.
• Authors of publication: Amanullah, Sk; Dey, Abhishek
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 23
• Pages of publication: 5909 - 5921
• a: 15.7335 ± 0.0016 Å
• b: 15.6057 ± 0.0016 Å
• c: 26.314 ± 0.003 Å
• α: 90°
• β: 100.54 ± 0.003°
• γ: 90°
• Cell volume: 6351.9 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.2678
• Residual factor for significantly intense reflections: 0.0836
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.2346
• Goodness-of-fit parameter for all reflections included in the refinement: 0.956
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No