Information card for entry 4346774

Structure parameters

• Formula: C50 H24 F12 I8 N4 O2 Zn
• Calculated formula: C50 H24 F12 I8 N4 O2 Zn
• 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: 13.7472 ± 0.0005 Å
• b: 13.4249 ± 0.0005 Å
• c: 28.9319 ± 0.001 Å
• α: 90°
• β: 91.095 ± 0.002°
• γ: 90°
• Cell volume: 5338.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0621
• Residual factor for significantly intense reflections: 0.0422
• Weighted residual factors for significantly intense reflections: 0.0768
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No