Information card for entry 2004504

Structure parameters

• Chemical name: (bismethanol)(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III) perchlorate
• Formula: C40 H60 Cl Fe N4 O8
• Calculated formula: C40 H56 Cl Fe N4 O8
• Title of publication: Bis(methanol-<i>O</i>)(2,3,7,8,12,13,17,18-octaethylporphyrinato-<i>N</i>,<i>N</i>',<i>N</i>'',<i>N</i>''')iron(III) Perchlorate Bis(methanol) Solvate, [Fe^III^(oep)(HOCH~3~)~2~](ClO~4~).2CH~3~OH
• Authors of publication: Senge, M. O.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 2
• Pages of publication: 302 - 305
• a: 21.604 ± 0.008 Å
• b: 8.788 ± 0.004 Å
• c: 22.082 ± 0.01 Å
• α: 90°
• β: 91.45 ± 0.03°
• γ: 90°
• Cell volume: 4191 ± 3 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: 0.1118
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections: 0.1798
• Weighted residual factors for significantly intense reflections: 0.1501
• Goodness-of-fit parameter for all reflections: 1.035
• Goodness-of-fit parameter for significantly intense reflections: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No