Information card for entry 1573735

Structure parameters

• Formula: C70 H86 Cl2 Cu6 F9 N7 O7 S4
• Calculated formula: C60 H68 Cl2 Cu6 F6 N5 O3 S4
• 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: 36.1356 ± 0.0002 Å
• b: 16.4719 ± 0.0002 Å
• c: 28.0985 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 16724.8 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.1032
• Weighted residual factors for significantly intense reflections: 0.3038
• Weighted residual factors for all reflections included in the refinement: 0.3217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No