Information card for entry 4301774

Structure parameters

• Formula: C42 H24 Cu6 N6 S12
• Calculated formula: C42 H24 Cu6 N6 S12
• SMILES: c12[n](c3ccccc3s2)[Cu]2[S]3c4[n](c5c(s4)cccc5)[Cu]4[S]1[Cu]1[n]5c([S]2[Cu]2[n]6c([S]1[Cu]1[n]7c([S]2[Cu]3[n]2c([S]41)sc1c2cccc1)sc1c7cccc1)sc1ccccc61)sc1c5cccc1
• Title of publication: A Polynuclear d10-d10 Metal Complex with Unusual Near-Infrared Luminescence and High Thermal Stability
• Authors of publication: Chengyang Yue; Chunfeng Yan; Rui Feng; Mingyan Wu; Lian Chen; Feilong Jiang; Maochun Hong
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 2873 - 2879
• a: 7.686 ± 0.005 Å
• b: 13.317 ± 0.008 Å
• c: 13.849 ± 0.008 Å
• α: 113.77 ± 0.006°
• β: 101.154 ± 0.006°
• γ: 103.006 ± 0.003°
• Cell volume: 1198.1 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1376
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No