Information card for entry 1573173

Structure parameters

• Formula: C163 H113 Cu17 F54 N13 O2 P3 S24
• Calculated formula: C162.998 H112.997 Cu17 F54 N12.9999 O1.9998 P3 S24
• 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: 24.8645 ± 0.0011 Å
• b: 24.8645 ± 0.0011 Å
• c: 66.598 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 35658 ± 4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0767
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1437
• Weighted residual factors for all reflections included in the refinement: 0.1587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No