Information card for entry 2011818

Structure parameters

• Chemical name: [Bis(tetrahydrofuran-κO)(meso-5,10,15,20-tetraisopropylporphyrinato-κ^4^N) iron(III)] perchlorate
• Formula: C40 H52 Cl Fe N4 O6
• Calculated formula: C40 H52 Cl Fe N4 O6
• Title of publication: Bis(tetrahydrofuran-κ<i>O</i>)(<i>meso</i>-5,10,15,20-tetraisopropylporphyrinato-κ^4^<i>N</i>)iron(III) perchlorate
• Authors of publication: Ohgo, Yoshiki; Saitoh, Takashi; Nakamura, Mikio
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 233 - 234
• a: 10.56 ± 0.1 Å
• b: 32.98 ± 0.15 Å
• c: 11.64 ± 0.08 Å
• α: 90°
• β: 92.8 ± 0.7°
• γ: 90°
• Cell volume: 4049 ± 5 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.168
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No