Information card for entry 1575971

Structure parameters

• Formula: C54 H44 Cu2 F6 N8 O6 S2
• Calculated formula: C54 H44 Cu2 F6 N8 O6 S2
• Title of publication: Complexation-Induced Reduction of CuII to CuI Promoted by a Distorted Tetrahedral N4-Type Schiff-Base Ligand
• Authors of publication: Takeyama, Tomoyuki; Shirabe, Daisuke; Hamamoto, Nobutsugu; Ohta, Takehiro
• Journal of publication: Inorganics
• Year of publication: 2025
• Journal volume: 13
• Journal issue: 10
• Pages of publication: 327
• a: 11.8459 ± 0.0003 Å
• b: 19.8379 ± 0.0004 Å
• c: 11.8919 ± 0.0003 Å
• α: 90°
• β: 117.494 ± 0.003°
• γ: 90°
• Cell volume: 2478.95 ± 0.12 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0483
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No