Information card for entry 1573172

Structure parameters

• Formula: C212 H172 Cl Cu16 F36 N12 O4 S25
• Calculated formula: C184 H140 Cl Cu16 F36 N12 O4 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: 39.487 ± 0.009 Å
• b: 20.216 ± 0.003 Å
• c: 31.428 ± 0.005 Å
• α: 90°
• β: 113.044 ± 0.007°
• γ: 90°
• Cell volume: 23086 ± 7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2096
• Residual factor for significantly intense reflections: 0.1103
• Weighted residual factors for significantly intense reflections: 0.2912
• Weighted residual factors for all reflections included in the refinement: 0.3271
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No