Information card for entry 2237430

Structure parameters

• Common name: Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒ 18-crown-6 (1/1)
• Chemical name: Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒ 1,4,7,10,13,16-hexaoxacyclooctadecane (1/1)
• Formula: C56 H56 Mg N4 O8
• Calculated formula: C56 H56 Mg N4 O8
• Title of publication: Diaqua(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium‒18-crown-6 (1/1)
• Authors of publication: Ezzayani, Khaireddine; Nasri, Soumaya; Belkhiria, Mohamed Salah; Daran, Jean-Claude; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: m114 - m115
• a: 8.144 ± 0.0003 Å
• b: 12.308 ± 0.0004 Å
• c: 12.417 ± 0.0004 Å
• α: 86.894 ± 0.003°
• β: 75.163 ± 0.003°
• γ: 79.529 ± 0.003°
• Cell volume: 1183.06 ± 0.07 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1184
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes