Information card for entry 1568532

Structure parameters

• Formula: C44 H58.03 Cl4.03 Cu6 N12 S6
• Calculated formula: C44 H58.024 Cl4.024 Cu6 N12 S6
• Title of publication: A stable superatomic Cu₆(SMPP)₆ nanocluster with dual emission.
• Authors of publication: Wu, Haiming; Anumula, Rajini; Andrew, Gaya N.; Luo, Zhixun
• Journal of publication: Nanoscale
• Year of publication: 2023
• Journal volume: 15
• Journal issue: 8
• Pages of publication: 4137 - 4142
• a: 9.2167 ± 0.0004 Å
• b: 13.7793 ± 0.0006 Å
• c: 23.2892 ± 0.0007 Å
• α: 78.74 ± 0.003°
• β: 88.981 ± 0.003°
• γ: 86.659 ± 0.003°
• Cell volume: 2895.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1457
• Residual factor for significantly intense reflections: 0.1189
• Weighted residual factors for significantly intense reflections: 0.3059
• Weighted residual factors for all reflections included in the refinement: 0.3213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.15
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No