Information card for entry 7035194

Structure parameters

• Formula: C64 H56 Cu2 I2 P4
• Calculated formula: C64 H56 Cu2 I2 P4
• Title of publication: Experimental and theoretical studies of highly emissive dinuclear Cu(i) halide complexes with delayed fluorescence.
• Authors of publication: Kang, Liju; Chen, Jin; Teng, Teng; Chen, Xu-Lin; Yu, Rongmin; Lu, Can-Zhong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 25
• Pages of publication: 11649 - 11659
• a: 21.9969 ± 0.0004 Å
• b: 10.4072 ± 0.0002 Å
• c: 24.4603 ± 0.0004 Å
• α: 90°
• β: 104.156 ± 0.002°
• γ: 90°
• Cell volume: 5429.56 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0991
• Weighted residual factors for all reflections included in the refinement: 0.1037
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No