Information card for entry 4301775

Structure parameters

• Formula: C28 H16 Cu4 N4 S8
• Calculated formula: C28 H16 Cu4 N4 S8
• SMILES: [S]12[Cu]345[n]6c7c(cccc7)sc6[S]6[Cu]78([n]9c%10c(cccc%10)sc19)[S]1c9[n](c%10c(cccc%10)s9)[Cu]567[S]3c3[n](c5c(cccc5)s3)[Cu]2481
• 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: 10.829 ± 0.005 Å
• b: 10.829 ± 0.005 Å
• c: 13.469 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1579.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0242
• Residual factor for significantly intense reflections: 0.0226
• Weighted residual factors for significantly intense reflections: 0.048
• Weighted residual factors for all reflections included in the refinement: 0.0489
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No