Information card for entry 2240460

Structure parameters

• Chemical name: Diaqua[5,10,15,20-tetrakis(4‒bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium
• Formula: C44 H28 Br4 Mg N4 O2
• Calculated formula: C44 H28 Br4 Mg N4 O2
• Title of publication: Crystal structure of diaqua[5,10,15,20-tetrakis(4-bromophenyl)porphyrinato-κ^4^<i>N</i>]magnesium
• Authors of publication: Amiri, Nesrine; Nasri, Soumaya; Roisnel, Thierry; Simonneaux, Gérard; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m73 - m74
• a: 14.8313 ± 0.001 Å
• b: 14.8313 Å
• c: 9.3966 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2066.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0309
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0732
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes