Information card for entry 7134714

Structure parameters

• Formula: C8 H44 B40 Cu4 S4
• Calculated formula: C8 H44 B40 Cu4 S4
• Title of publication: Mechanochromic luminescence in copper nanoclusters: resolving structural transitions through microcrystal electron diffraction.
• Authors of publication: Nagar, Harshita; Duary, Subrata; Yadav, Vivek; Kini, Amoghavarsha Ramachandra; Antharjanam, Sudhadevi; Base, Tomas; Som, Anirban; Nannenga, Brent L.; Pradeep, Thalappil
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 58
• Pages of publication: 10764 - 10767
• a: 11.31 ± 0.002 Å
• b: 11.31 ± 0.002 Å
• c: 29.08 ± 0.006 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 120 ± 0.03°
• Cell volume: 3221.4 ± 1.4 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 5
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.189
• Residual factor for significantly intense reflections: 0.1278
• Weighted residual factors for significantly intense reflections: 0.3409
• Weighted residual factors for all reflections included in the refinement: 0.378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: 300KeVelectron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No