Information card for entry 7119663

Structure parameters

• Common name: (SiHP2)Cu(Cbz)
• Formula: C43 H54 Cu N P2 Si
• Calculated formula: C43 H54 Cu N P2 Si
• SMILES: [Cu]12([P](c3c([Si](c4c([P]1(C(C)C)C(C)C)cccc4)(C)[H]2)cccc3)(C(C)C)C(C)C)n1c2c(c3c1cccc3)cccc2.c1ccccc1
• 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: 18.7897 ± 0.0006 Å
• b: 19.9849 ± 0.0006 Å
• c: 21.0601 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7908.3 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0957
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1353
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No