Information card for entry 7119661

Structure parameters

• Common name: (PPMeP)CuCl
• Formula: C25 H39 Cl Cu P3
• Calculated formula: C25 H39 Cl Cu P3
• SMILES: [Cu]12([P](c3c([P]2(C(C)C)C(C)C)cccc3)(c2c([P]1(C(C)C)C(C)C)cccc2)C)Cl
• Title of publication: σ-Complexation as a strategy for designing copper-based light emitters.
• Authors of publication: Kim, Yeong-Eun; Kim, Jin; Park, Joon Woo; Park, Kiyoung; Lee, Yunho
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 19
• Pages of publication: 2858 - 2861
• a: 10.5183 ± 0.0006 Å
• b: 16.4152 ± 0.0009 Å
• c: 15.7633 ± 0.0009 Å
• α: 90°
• β: 98.452 ± 0.003°
• γ: 90°
• Cell volume: 2692.1 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1265
• Weighted residual factors for all reflections included in the refinement: 0.1293
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No