Information card for entry 2019832

Structure parameters

• Chemical name: Chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ^4^<i>N</i>}iron(III)
• Formula: C64 H64 Cl Fe N8 O4
• Calculated formula: C64 H64 Cl Fe N8 O4
• Title of publication: Crystal structure of chlorido{5,10,15,20-tetrakis[2-(2,2-dimethylpropanamido)phenyl]porphyrinato-κ4N}iron(III)
• Authors of publication: Awasabisah, Dennis; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: m42
• a: 17.763 ± 0.003 Å
• b: 17.652 ± 0.003 Å
• c: 20.145 ± 0.004 Å
• α: 90°
• β: 110.57 ± 0.004°
• γ: 90°
• Cell volume: 5913.8 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1693
• Residual factor for significantly intense reflections: 0.0923
• Weighted residual factors for significantly intense reflections: 0.2449
• Weighted residual factors for all reflections included in the refinement: 0.2798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes