Information card for entry 4346776

Structure parameters

• Formula: C48 H16 Cu F12 I8 N4
• Calculated formula: C48 H16 Cu F12 I8 N4
• Title of publication: Octaiodoporphyrin.
• Authors of publication: Thomassen, Ivar K.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 23
• Pages of publication: 11493 - 11497
• a: 12.981 ± 0.003 Å
• b: 20.97 ± 0.005 Å
• c: 25.698 ± 0.006 Å
• α: 81.432 ± 0.004°
• β: 85.197 ± 0.004°
• γ: 83.911 ± 0.004°
• Cell volume: 6862 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.1252
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1754
• Weighted residual factors for all reflections included in the refinement: 0.1938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No