Information card for entry 1573740

Structure parameters

• Formula: C27 H37 Cl2 Cu5 F6 N4 O4 S3
• Calculated formula: C29 H37 Cl2 Cu5 F6 N2 O4 S3
• 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: 13.9234 ± 0.0004 Å
• b: 11.9576 ± 0.0004 Å
• c: 23.9446 ± 0.0007 Å
• α: 90°
• β: 91.901 ± 0.001°
• γ: 90°
• Cell volume: 3984.4 ± 0.2 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 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: 0.0691
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1206
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No