Information card for entry 4318492

Structure parameters

• Common name: porphyrin
• Chemical name: Iodo[2,7,12,17-tetraethyl-3,8,13,18- tetramethylporphyrinato]iron(III)
• Formula: C33 H38 Cl2 Fe I N4
• Calculated formula: C33 H38 Cl2 Fe I N4
• Title of publication: Molecular Structures of Five-Coordinated Halide Ligated Iron(III) Porphyrin, Porphycene, and Corrphycene Complexes
• Authors of publication: Yoshiki Ohgo; Saburo Neya; Takahisa Ikeue; Masashi Takahashi; Masuo Takeda; Noriaki Funasaki; Mikio Nakamura
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 4627 - 4629
• a: 10.5532 ± 0.0015 Å
• b: 10.6417 ± 0.0017 Å
• c: 14.919 ± 0.002 Å
• α: 94.612 ± 0.009°
• β: 91.02 ± 0.005°
• γ: 108.923 ± 0.003°
• Cell volume: 1578.1 ± 0.4 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1342
• Residual factor for significantly intense reflections: 0.0947
• Weighted residual factors for significantly intense reflections: 0.2691
• Weighted residual factors for all reflections included in the refinement: 0.2985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No