Information card for entry 1573171

Structure parameters

• Formula: C144 H84 Cu16 F54 N12 P3 S25
• Calculated formula: C144 H84 Cu16 F54 N12 P3 S25
• Title of publication: Analogous copper nanoclusters (Cu_16/17) with two electron superatomic and mixed valence copper(II)/copper(I) and copper(I)/copper(0) characters.
• Authors of publication: Kumar, Shibaditya; Mishra, Saikat; Das, Aniruddha; Mahiya, Kuldeep; Laha, Sourav; Maji, Milan; Patra, Apurba K.
• Journal of publication: Nanoscale
• Year of publication: 2025
• Journal volume: 17
• Journal issue: 2
• Pages of publication: 982 - 991
• a: 24.815 ± 0.0006 Å
• b: 24.815 ± 0.0006 Å
• c: 66.157 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35281 ± 2 ų
• Cell temperature: 140 K
• Ambient diffraction temperature: 140 K
• Number of distinct elements: 7
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.1364
• Residual factor for significantly intense reflections: 0.0687
• Weighted residual factors for significantly intense reflections: 0.1748
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No