Information card for entry 7035196

Structure parameters

• Formula: C64 H56 Cl2 Cu2 P4
• Calculated formula: C64 H56 Cl2 Cu2 P4
• SMILES: c1(ccccc1C)[P]1(c2ccccc2[P]([Cu]21[Cl][Cu]1([P](c3ccccc3C)(c3c(cccc3)C)c3ccccc3[P]1(c1ccccc1)c1ccccc1)[Cl]2)(c1ccccc1)c1ccccc1)c1c(cccc1)C
• 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: 19.387 ± 0.0005 Å
• b: 10.4225 ± 0.0002 Å
• c: 27.8742 ± 0.0009 Å
• α: 90°
• β: 109.48 ± 0.003°
• γ: 90°
• Cell volume: 5309.9 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0965
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No