Information card for entry 4315855

Structure parameters

• Formula: C42 H33 Cl3 Cu N4 O
• Calculated formula: C41 H32 Cu N4 O
• Title of publication: Synthesis and Characterization of Free-Base, Copper, and Nickel Isocorroles
• Authors of publication: Giuseppe Pomarico; Xiao Xiao; Sara Nardis; Roberto Paolesse; Frank R. Fronczek; Kevin M. Smith; Yuanyuan Fang; Zhongping Ou; Karl M. Kadish
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 5766 - 5774
• a: 7.6453 ± 0.0008 Å
• b: 11.2802 ± 0.001 Å
• c: 21.863 ± 0.002 Å
• α: 79.32 ± 0.006°
• β: 85.26 ± 0.006°
• γ: 70.83 ± 0.009°
• Cell volume: 1749.6 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.0628
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No