Information card for entry 7119666

Structure parameters

• Common name: (PPMeP)Cu(CbztBu)
• Formula: C45 H63 Cu N P3
• Calculated formula: C45 H63 Cu N P3
• 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: 13.035 ± 0.0011 Å
• b: 18.3622 ± 0.0013 Å
• c: 17.9391 ± 0.0015 Å
• α: 90°
• β: 97.764 ± 0.002°
• γ: 90°
• Cell volume: 4254.4 ± 0.6 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: 0.1323
• Residual factor for significantly intense reflections: 0.0579
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1343
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No