Information card for entry 2005718

Structure parameters

• Chemical name: Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)
• Formula: C36 H44 Fe N5 O3
• Calculated formula: C36 H44 Fe N5 O3
• Title of publication: Nitrato(2,3,7,8,12,13,17,18-octaethylporphyrinato)iron(III)
• Authors of publication: Ellison, M. K.; Shang, M.; Kim, J.; Scheidt, W. R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3040 - 3043
• a: 10.4304 ± 0.0003 Å
• b: 10.8912 ± 0.0009 Å
• c: 15.8159 ± 0.0015 Å
• α: 72.231 ± 0.007°
• β: 72.719 ± 0.011°
• γ: 82.798 ± 0.007°
• Cell volume: 1632.5 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0932
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for all reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.134
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for significantly intense reflections: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No