Information card for entry 7718032

Structure parameters

• Formula: C36 H27 Cu F3 N6 O5 S
• Calculated formula: C36 H27 Cu F3 N6 O5 S
• 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
• Journal volume: 54
• Journal issue: 13
• Pages of publication: 5327 - 5333
• a: 9.5052 ± 0.0006 Å
• b: 13.2148 ± 0.0009 Å
• c: 15.9584 ± 0.0012 Å
• α: 66.2124 ± 0.0019°
• β: 78.309 ± 0.002°
• γ: 79.4556 ± 0.0019°
• Cell volume: 1784.7 ± 0.2 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0662
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No