Information card for entry 4318484

Structure parameters

• Common name: corrphycene
• Chemical name: Fluoro[(2,7,12,17-tetraethyl-3,6,11,18- tetramethylcorrphycenato)iron(III)]
• Formula: C33 H37 Cl3 F Fe N4
• Calculated formula: C33 H37 Cl3 F Fe 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: 11.8966 ± 0.0008 Å
• b: 12.1945 ± 0.0004 Å
• c: 13.3152 ± 0.0011 Å
• α: 113.431 ± 0.006°
• β: 104.041 ± 0.001°
• γ: 102.837 ± 0.004°
• Cell volume: 1605.5 ± 0.2 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: 0.1014
• Residual factor for significantly intense reflections: 0.084
• Weighted residual factors for significantly intense reflections: 0.2125
• Weighted residual factors for all reflections included in the refinement: 0.2304
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No