Information card for entry 1571451

Structure parameters

• Formula: C36 H30 Br4 N4 Ni O6
• Calculated formula: C36 H30 Br4 N4 Ni O6
• Title of publication: Norcorroles as antiaromatic π-electronic systems that form dimension-controlled assemblies.
• Authors of publication: Ishikawa, Soh; Yamasumi, Kazuhisa; Sugiura, Shinya; Sato, Shunsuke; Watanabe, Go; Koo, Yun Hee; Seki, Shu; Bando, Yuya; Haketa, Yohei; Shinokubo, Hiroshi; Maeda, Hiromitsu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7603 - 7609
• a: 8.9821 ± 0.0001 Å
• b: 31.6135 ± 0.0003 Å
• c: 12.7862 ± 0.0002 Å
• α: 90°
• β: 90.976 ± 0.001°
• γ: 90°
• Cell volume: 3630.19 ± 0.08 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 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: 0.0368
• Residual factor for significantly intense reflections: 0.0362
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No