Information card for entry 7045681

Structure parameters

• Formula: C42 H60 Cu8 I2 N38 S6
• Calculated formula: C42 H60 Cu8 I2 N38 S6
• Title of publication: A luminescent supramolecular Cu₂I₂(NH₃)₂-sandwiched Cu₃(pyrazolate)₃ adduct as a temperature sensor.
• Authors of publication: Zhan, Shun-Ze; Jiang, Xia; Zheng, Ji; Huang, Xin-Da; Chen, Guang-Hui; Li, Dan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 11
• Pages of publication: 3679 - 3683
• a: 10.33551 ± 0.00013 Å
• b: 10.98757 ± 0.00011 Å
• c: 15.67208 ± 0.00018 Å
• α: 93.6941 ± 0.0009°
• β: 95.8876 ± 0.001°
• γ: 90.6089 ± 0.0009°
• Cell volume: 1766.42 ± 0.04 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 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: 0.0443
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.152
• Goodness-of-fit parameter for all reflections included in the refinement: 1.42
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No