Information card for entry 7035195

Structure parameters

• Formula: C64 H56 Br2 Cu2 P4
• Calculated formula: C64 H56 Br2 Cu2 P4
• SMILES: c1(c(C)cccc1)[P]1(c2c(cccc2)C)c2c([P](c3ccccc3)(c3ccccc3)[Cu]31[Br][Cu]1([P](c4ccccc4)(c4ccccc4)c4c([P]1(c1c(cccc1)C)c1c(cccc1)C)cccc4)[Br]3)cccc2
• 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: 19.6495 ± 0.0008 Å
• b: 10.3582 ± 0.0003 Å
• c: 28.0646 ± 0.001 Å
• α: 90°
• β: 110.437 ± 0.004°
• γ: 90°
• Cell volume: 5352.5 ± 0.4 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: 0.0424
• Residual factor for significantly intense reflections: 0.0365
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No