Information card for entry 7130192

Structure parameters

• Formula: C46 H36 N2 O2 Zn
• Calculated formula: C46 H36 N2 O2 Zn
• Title of publication: Sign control of circularly polarized luminescence of chiral Schiff-base Zn(II) complexes through coordination geometry changes
• Authors of publication: Ikeshita, Masahiro; Mizugaki, Momo; Ishikawa, Takahiro; Matsudaira, Kana; Kitahara, Maho; Imai, Yoshitane; Tsuno, Takashi
• Journal of publication: Chemical Communications
• Year of publication: 2022
• a: 8.613 ± 0.0005 Å
• b: 14.1657 ± 0.0008 Å
• c: 28.4939 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3476.5 ± 0.3 ų
• Cell temperature: 173.15 K
• Ambient diffraction temperature: 173.15 K
• Number of distinct elements: 5
• 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: 0.0696
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0537
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No