Information card for entry 2239758

Structure parameters

• Common name: Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)
• Formula: C53 H40 Cl4 F3 Fe N4 O10 S
• Calculated formula: C53 H40 Cl4 F3 Fe N4 O10 S
• Title of publication: Diaqua[5,10,15,20-tetrakis(4-chlorophenyl)porphyrinato-κ^4^<i>N</i>]iron(III) trifluoromethanesulfonate‒4-hydroxy-3-methoxybenzaldehyde‒water (1/1/2)
• Authors of publication: Ben Haj Hassen, Leila; Ezzayani, Khaireddine; Rousselin, Yoann; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 8
• Pages of publication: m296 - m297
• a: 10.9998 ± 0.0004 Å
• b: 17.8613 ± 0.0006 Å
• c: 26.6592 ± 0.0009 Å
• α: 90°
• β: 97.9013 ± 0.0011°
• γ: 90°
• Cell volume: 5188 ± 0.3 ų
• Cell temperature: 115 K
• Ambient diffraction temperature: 115 K
• Number of distinct elements: 8
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes