Information card for entry 7127553

Structure parameters

• Chemical name: (5,10,15-Triphenyl-tetrabenzocorrolato)Cu hexachloroantimonate
• Formula: C53 H31 Cl6 Cu N4 Sb
• Calculated formula: C53 H31 Cl6 Cu N4 Sb
• Title of publication: A cationic benzocorrole Cu(II) complex as a highly stable antiaromatic system.
• Authors of publication: Wu, Fan; Xu, Jialiang; Gao, Hu; Li, Chenhong; Xu, Shuai; Uno, Hidemitsu; Xu, Yan; Zhao, Yue; Shen, Zhen
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2021
• Journal volume: 57
• Journal issue: 3
• Pages of publication: 383 - 386
• a: 12.994 ± 0.014 Å
• b: 32.99 ± 0.03 Å
• c: 13.281 ± 0.014 Å
• α: 90°
• β: 102.381 ± 0.016°
• γ: 90°
• Cell volume: 5561 ± 10 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1194
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1724
• Weighted residual factors for all reflections included in the refinement: 0.1906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No