Information card for entry 7718031

Structure parameters

• Formula: C48 H48 Cu2 F6 N10 O11 S2
• Calculated formula: C48 H48 Cu2 F6 N10 O11 S2
• Title of publication: Reactivity of Copper(I) Complexes Supported by Tripodal Nitrogen-containing Tetradentate Ligands toward Gaseous Diatomic Molecules, NO, CO and O2
• Authors of publication: Morimoto, Yuma; Inoue, Keisuke; Itoh, Shinobu
• Journal of publication: Dalton Transactions
• Year of publication: 2025
• a: 16.7789 ± 0.0006 Å
• b: 8.1818 ± 0.0003 Å
• c: 20.3388 ± 0.0006 Å
• α: 90°
• β: 105.749 ± 0.0011°
• γ: 90°
• Cell volume: 2687.33 ± 0.16 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• 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: 0.0551
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.115
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No