Information card for entry 4515971

Structure parameters

• Formula: C64 H28.36 Cl8 Cu I7.64 N7
• Calculated formula: C64 H28.3603 Cl8 Cu I7.6397 N7
• Title of publication: Synthesis and Molecular Structure of a Copper Octaiodocorrole.
• Authors of publication: Thomassen, Ivar K.; McCormick, Laura J.; Ghosh, Abhik
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 5106 - 5110
• a: 13.9951 ± 0.0007 Å
• b: 14.273 ± 0.0008 Å
• c: 17.845 ± 0.001 Å
• α: 111.769 ± 0.002°
• β: 91.652 ± 0.002°
• γ: 90.047 ± 0.002°
• Cell volume: 3308.7 ± 0.3 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: 0.0596
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.7288 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No