Information card for entry 1563420

Structure parameters

• Formula: C54 H44 F15 N5 O Pd
• Calculated formula: C54 H44 F15 N5 O Pd
• Title of publication: Ion-pairing π-electronic systems: ordered arrangement and noncovalent interactions of negatively charged porphyrins
• Authors of publication: Sasano, Yoshifumi; Maeda, Hiromitsu; Tanaka, Hiroki; Haketa, Yohei; Kobayashi, Yoichi; Ishibashi, Yukihide; Asahi, Tsuyoshi; Morimoto, Tatsuki; Yasuda, Nobuhiro; Sato, Ryuma; Shigeta, Yasuteru
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 8.2881 ± 0.0003 Å
• b: 22.4879 ± 0.0006 Å
• c: 26.3395 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4909.2 ± 0.3 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1046
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1539
• Weighted residual factors for all reflections included in the refinement: 0.1982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.78192 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No