Information card for entry 1568958

Structure parameters

• Formula: C2.5 H4 Cu2.5 I2 N0.5 O1.5 S
• Calculated formula: C2.5 H4 Cu2.5 I2 N0.5 O1.5 S
• Title of publication: Delayed luminescence guided enhanced circularly polarized emission in atomically precise copper nanoclusters.
• Authors of publication: Dutta, Camelia; Maniappan, Sonia; Kumar, Jatish
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 21
• Pages of publication: 5593 - 5601
• a: 7.155 ± 0.007 Å
• b: 7.155 ± 0.007 Å
• c: 12.562 ± 0.018 Å
• α: 92.42 ± 0.03°
• β: 92.42 ± 0.03°
• γ: 118.1°
• Cell volume: 565.4 ± 1.1 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 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: 0.2766
• Residual factor for significantly intense reflections: 0.1417
• Weighted residual factors for significantly intense reflections: 0.3482
• Weighted residual factors for all reflections included in the refinement: 0.4197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No