Information card for entry 2240396

Structure parameters

• Chemical name: Chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate
• Formula: C54 H40 Cl Mn N8
• Calculated formula: C54 H40 Cl Mn N8
• SMILES: [Mn]123(Cl)n4c5=C(c6[n]3c(=C(c3n2c(C(=c2[n]1c(C(=c4cc5)c1ccccc1)cc2)c1ccccc1)cc3)c1ccccc1)cc6)c1ccccc1.Nc1ncccc1.Nc1ncccc1
• Title of publication: Crystal structure of chlorido(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)manganese(III) 2-aminopyridine disolvate
• Authors of publication: Harhouri, Wafa; Dhifaoui, Salma; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 2
• Pages of publication: 165 - 167
• a: 9.9617 ± 0.0004 Å
• b: 12.1247 ± 0.0006 Å
• c: 18.91 ± 0.0009 Å
• α: 92.441 ± 0.003°
• β: 94.699 ± 0.002°
• γ: 108.186 ± 0.002°
• Cell volume: 2157.01 ± 0.17 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: 0.0576
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0974
• Weighted residual factors for all reflections included in the refinement: 0.107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes