Information card for entry 1575311

Structure parameters

• Chemical name: 1c
• Formula: C36 H36 Cu6 N6 S6
• Calculated formula: C36 H36 Cu6 N6 S6
• Title of publication: Multinuclear Cu _<i>n</i> S _<i>m</i> clusters encapsulated by aromatic micelles as aqueous red-to-NIR phosphorescent ink.
• Authors of publication: Toyama, Kazuki; Tanaka, Yuya; Yoshizawa, Michito
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 36
• Pages of publication: 16751 - 16756
• a: 22.1291 ± 0.0003 Å
• b: 9.5391 ± 0.0001 Å
• c: 18.9461 ± 0.0003 Å
• α: 90°
• β: 94.215 ± 0.001°
• γ: 90°
• Cell volume: 3988.55 ± 0.09 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0247
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No