Information card for entry 2019864

Structure parameters

• Chemical name: Bis(1-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(5,10,15,20-tetraphenylporphyrinato-κ^4^<i>N</i>)iron(II)‒1-methyl-1<i>H</i>-imidazole (1/2)
• Formula: C60 H52 Fe N12
• Calculated formula: C60 H52 Fe N12
• Title of publication: Crystal structure of bis(1-methyl-1H-imidazole-κN3)(5,10,15,20-tetraphenylporphyrinato-κ4N)iron(II)‒1-methyl-1H-imidazole (1/2)
• Authors of publication: Guan, Ye; Powell, Douglas R.; Richter-Addo, George B.
• Journal of publication: Acta Crystallographica Section E Crystallographic Communications
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: m57
• a: 9.3108 ± 0.0004 Å
• b: 10.1943 ± 0.0004 Å
• c: 13.4745 ± 0.0005 Å
• α: 81.557 ± 0.002°
• β: 79.143 ± 0.002°
• γ: 77.797 ± 0.003°
• Cell volume: 1220.03 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0469
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes