Information card for entry 1573239

Structure parameters

• Formula: C40 H54 Ag6 F9 N5 O7 S3
• Calculated formula: C36 H45 Ag6 F9 N4 O6 S3
• Title of publication: Designed construction of two new atom-precise three-dimensional and two-dimensional Ag12 cluster-assembled materials
• Authors of publication: Nakatani, Riki; Sakai, Jin; Saha, Aishik; Kondo, Ayumu; Tomioka, Rina; Kawawaki, Tokuhisa; Das, Saikat; Negishi, Yuichi
• Journal of publication: Nanoscale
• Year of publication: 2024
• a: 21.868 ± 0.003 Å
• b: 22.557 ± 0.003 Å
• c: 22.892 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11292 ± 3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1018
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No