Information card for entry 4312502

Structure parameters

• Chemical name: μ-oxobis{[2,7,12,17-tetraethyl-3,6,13,16- tetrakis(trifluoromethyl)porphycenato]iron}
• Formula: C65 H49 Cl3 F24 Fe2 N8 O
• Calculated formula: C65 H48 Cl3 F24 Fe2 N8 O
• Title of publication: Synthesis, Characterization, and Autoreduction of a Highly Electron-Deficient Porphycenatoiron(III) with Trifluoromethyl Substituents
• Authors of publication: Takashi Hayashi; Yuji Nakashima; Kazuyuki Ito; Takahiro Ikegami; Isao Aritome; Katsuhiro Aoyagi; Tsutomu Ando; Yoshio Hisaeda
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 7345 - 7347
• a: 14.568 ± 0.0012 Å
• b: 21.6097 ± 0.0019 Å
• c: 21.0226 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6618.1 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No