Information card for entry 1573741

Structure parameters

• Chemical name: n/a
• Formula: C2.8 H3.28 Cl0.16 Cu0.4 F0.48 N0.16 O0.32 S0.4
• Calculated formula: C2.72 H3.12 Cu0.4 F0.48 N0.16 O0.32 S0.4
• Title of publication: Tunable structural rearrangement in Cu cluster assemblies through linker and solvent alterations.
• Authors of publication: Das, Saikat; Sakai, Jin; Nakatani, Riki; Kondo, Ayumu; Tomioka, Rina; Das, Subhabrata; Takahashi, Shuntaro; Kawawaki, Tokuhisa; Biswas, Sourav; Negishi, Yuichi
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 6
• Pages of publication: 2600 - 2608
• a: 20.5359 ± 0.001 Å
• b: 15.906 ± 0.0008 Å
• c: 18.1932 ± 0.001 Å
• α: 90°
• β: 102.802 ± 0.002°
• γ: 90°
• Cell volume: 5795 ± 0.5 ų
• Cell temperature: 90.15 K
• Ambient diffraction temperature: 90.15 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0958
• Residual factor for significantly intense reflections: 0.0582
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No