Information card for entry 7134711

Structure parameters

• Formula: C64 H54 Cu4 N2 O4 P4 S2
• Calculated formula: C64 H54 Cu4 N2 O4 P4 S2
• 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: 18.91 ± 0.004 Å
• b: 21.16 ± 0.004 Å
• c: 14.44 ± 0.003 Å
• α: 90 ± 0.03°
• β: 90 ± 0.03°
• γ: 90 ± 0.03°
• Cell volume: 5778 ± 2 ų
• Cell temperature: 77 ± 2 K
• Ambient diffraction temperature: 77 ± 2 K
• Number of distinct elements: 7
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1587
• Residual factor for significantly intense reflections: 0.1372
• Weighted residual factors for significantly intense reflections: 0.3296
• Weighted residual factors for all reflections included in the refinement: 0.3492
• Goodness-of-fit parameter for all reflections included in the refinement: 0.866
• Diffraction radiation wavelength: 0.0197 Å
• Diffraction radiation type: 300KeVelectron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No