Information card for entry 4346775

Structure parameters

• Formula: C53.77 H29.43 Cl0.09 F12 I8 N4 Ni
• Calculated formula: C53.765 H29.436 Cl0.094 F12 I8 N4 Ni
• 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: 12.4291 ± 0.0004 Å
• b: 15.0986 ± 0.0005 Å
• c: 18.1342 ± 0.0006 Å
• α: 68.073 ± 0.002°
• β: 86.741 ± 0.002°
• γ: 69.079 ± 0.002°
• Cell volume: 2937.28 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No