Information card for entry 1572346

Structure parameters

• Formula: C13 H8 F2 K N3 O Pd
• Calculated formula: C13 H6 F2 K N3 O Pd
• Title of publication: Thermo-responsive emission induced by different delocalized excited-states in isomorphous Pd(II) and Pt(II) one-dimensional chains
• Authors of publication: Saito, Tomoya; Yoshida, Masaki; Segawa, Kaito; Saito, Daisuke; Takayama, Junichi; Hiura, Satoshi; Murayama, Akihiro; Lakshan, Nishshanka M.; Sameera, W. M. C.; Kobayashi, Atsushi; Kato, Masako
• Journal of publication: Chemical Science
• Year of publication: 2024
• a: 19.6862 ± 0.0009 Å
• b: 10.2795 ± 0.0005 Å
• c: 6.6908 ± 0.0003 Å
• α: 90°
• β: 94.908 ± 0.004°
• γ: 90°
• Cell volume: 1349.01 ± 0.11 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 7
• 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: 0.0912
• Residual factor for significantly intense reflections: 0.0883
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.1976
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No