Information card for entry 1573737

Structure parameters

• Formula: C82 H99 Cu7 F9 N15 O15 S4
• Calculated formula: C72 H81 Cu7 F6 N13 O11 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: 40.186 ± 0.002 Å
• b: 17.9336 ± 0.001 Å
• c: 43.303 ± 0.002 Å
• α: 90°
• β: 108.171 ± 0.002°
• γ: 90°
• Cell volume: 29651 ± 3 ų
• Cell temperature: 273.15 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1198
• Residual factor for significantly intense reflections: 0.0791
• Weighted residual factors for significantly intense reflections: 0.2368
• Weighted residual factors for all reflections included in the refinement: 0.2649
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No