Information card for entry 1568324

Structure parameters

• Formula: C4 H22 B20 I2 S2
• Calculated formula: C4 H22 B20 I2 S2
• Title of publication: Carborane-thiol protected copper nanoclusters: stimuli-responsive materials with tunable phosphorescence.
• Authors of publication: Jana, Arijit; Jash, Madhuri; Dar, Wakeel Ahmed; Roy, Jayoti; Chakraborty, Papri; Paramasivam, Ganesan; Lebedkin, Sergei; Kirakci, Kaplan; Manna, Sujan; Antharjanam, Sudhadevi; Machacek, Jan; Kucerakova, Monika; Ghosh, Sundargopal; Lang, Kamil; Kappes, Manfred M.; Base, Tomas; Pradeep, Thalappil
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 1613 - 1626
• a: 14.149 ± 0.0006 Å
• b: 7.7293 ± 0.0003 Å
• c: 20.6546 ± 0.0009 Å
• α: 90°
• β: 91.659 ± 0.004°
• γ: 90°
• Cell volume: 2257.88 ± 0.16 ų
• Cell temperature: 95 ± 0.1 K
• Ambient diffraction temperature: 95 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for significantly intense reflections: 1.7126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.5754
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No