Information card for entry 1571163

Structure parameters

• Formula: C129.23 H188.77 Cl4.69 Cu29 O3 P4 S14.31
• Calculated formula: C128.388 H186.872 Cl4.692 Cu29 O2.3667 P4 S14.0969
• Title of publication: Multiple neighboring active sites of an atomically precise copper nanocluster catalyst for efficient bond-forming reactions.
• Authors of publication: Ghosh, Atanu; Sagadevan, Arunachalam; Murugesan, Kathiravan; Nastase, Stefan Adrian F.; Maity, Bholanath; Bodiuzzaman, Mohammad; Shkurenko, Aleksander; Hedhili, Mohamed Nejib; Yin, Jun; Mohammed, Omar F.; Eddaoudi, Mohamed; Cavallo, Luigi; Rueping, Magnus; Bakr, Osman M.
• Journal of publication: Materials horizons
• Year of publication: 2024
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2494 - 2505
• a: 20.052 ± 0.0008 Å
• b: 20.1859 ± 0.0008 Å
• c: 24.629 ± 0.0009 Å
• α: 94.177 ± 0.002°
• β: 107.105 ± 0.002°
• γ: 103.932 ± 0.002°
• Cell volume: 9136.2 ± 0.6 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.17
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No