Information card for entry 1575310

Structure parameters

• Chemical name: 1a
• 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: 12.5474 ± 0.0002 Å
• b: 12.5474 ± 0.0002 Å
• c: 21.7649 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2967.53 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0507
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1364
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.225
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No