Information card for entry 2241760

Structure parameters

• Common name: [Fe(TTP)(2-MeHim)2]ClO4
• Chemical name: Bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolyl)porphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate
• Formula: C62 H60 Cl Fe N8 O5.5
• Calculated formula: C62 H60 Cl Fe N8 O5.5
• Title of publication: Crystal structure of bis(2-methyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)(<i>meso</i>-tetra-<i>p</i>-tolylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate tetrahydrofuran sesquisolvate
• Authors of publication: Sun, Wenyan; Li, Jianfeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 8
• Pages of publication: 1116 - 1120
• a: 26.7161 ± 0.001 Å
• b: 16.6111 ± 0.0006 Å
• c: 24.9673 ± 0.0008 Å
• α: 90°
• β: 103.538 ± 0.001°
• γ: 90°
• Cell volume: 10772.2 ± 0.7 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1201
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes