Information card for entry 7107547

Structure parameters

• Formula: C15 H5 Br2 F5 N2
• Calculated formula: C15 H5 Br2 F5 N2
• Title of publication: Synthesis of 5,10,15-triazaporphyrins-effect of benzo-annulation on the electronic structures
• Authors of publication: Soji Shimizu; Yuki Ito; Kazuaki Oniwa; Shoma Hirokawa; Yoshiaki Miura; Osamu Matsushita; Nagao Kobayashi
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 3851
• a: 13.432 ± 0.006 Å
• b: 15.534 ± 0.007 Å
• c: 7.285 ± 0.003 Å
• α: 90°
• β: 93.759 ± 0.006°
• γ: 90°
• Cell volume: 1516.8 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0562
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1309
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No