Information card for entry 2237265

Structure parameters

• Common name: aqua(4-cyanopyridine-κ<i>N</i>)(5,10,15,20-tetraphenylporphyrinato κ<i></i>^4^-<i>N</i>)magnesium
• Chemical name: Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato- κ^4^<i>N</i>)magnesium
• Formula: C50 H32 Mg N6 O
• Calculated formula: C50 H32 Mg N6 O
• Title of publication: Aqua(4-cyanopyridine-κ<i>N</i>^4^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)magnesium
• Authors of publication: Ezzayani, Khaireddine; Belkhiria, Mohamed Salah; Najmudin, Shabir; Bonifácio, Cecilia; Nasri, Habib
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: m17 - m18
• a: 8.908 ± 0.0003 Å
• b: 10.755 ± 0.0004 Å
• c: 11.953 ± 0.0006 Å
• α: 63.446 ± 0.001°
• β: 89.364 ± 0.002°
• γ: 73.408 ± 0.001°
• Cell volume: 972.6 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0449
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1031
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes