Information card for entry 4003350

Structure parameters

• Formula: C72 H52 Cu4 I4 O2 P4
• Calculated formula: C72 H52 Cu4 I4 O2 P4
• Title of publication: White Electroluminescent Phosphine-Chelated Copper Iodide Nanoclusters
• Authors of publication: Xie, Mingchen; Han, Chunmiao; Zhang, Jing; Xie, Guohua; Xu, Hui
• Journal of publication: Chemistry of Materials
• Year of publication: 2017
• Journal volume: 29
• Journal issue: 16
• Pages of publication: 6606
• a: 11.2695 ± 0.0006 Å
• b: 13.9591 ± 0.0005 Å
• c: 21.6342 ± 0.0011 Å
• α: 93.356 ± 0.004°
• β: 94.042 ± 0.004°
• γ: 101.66 ± 0.004°
• Cell volume: 3315.6 ± 0.3 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: 0.0829
• Residual factor for significantly intense reflections: 0.0514
• Weighted residual factors for significantly intense reflections: 0.1228
• Weighted residual factors for all reflections included in the refinement: 0.1431
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No