Information card for entry 1571450

Structure parameters

• Formula: C36 H30 N4 Ni O6
• Calculated formula: C36 H30 N4 Ni O6
• SMILES: c12ccc3=C(c4ccc5n4[Ni]4([n]6c(=C(c7ccc5n47)c4cc(OC)c(OC)c(OC)c4)ccc26)[n]13)c1cc(OC)c(OC)c(OC)c1
• 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: 19.513 ± 0.008 Å
• b: 3.9317 ± 0.0017 Å
• c: 18.474 ± 0.007 Å
• α: 90°
• β: 96.947 ± 0.015°
• γ: 90°
• Cell volume: 1406.9 ± 1 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0834
• Weighted residual factors for significantly intense reflections: 0.1605
• Weighted residual factors for all reflections included in the refinement: 0.1758
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No