Information card for entry 7119662

Structure parameters

• Common name: (PPMeP)Cu(CbzI)
• Formula: C37 H45 Cu I2 N P3
• Calculated formula: C37 H45 Cu I2 N P3
• SMILES: Ic1ccc2c(c1)c1c(n2[Cu]23[P](C(C)C)(c4ccccc4[P]3(c3ccccc3[P]2(C(C)C)C(C)C)C)C(C)C)ccc(I)c1
• 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: 9.9922 ± 0.0007 Å
• b: 19.9115 ± 0.0013 Å
• c: 18.944 ± 0.0013 Å
• α: 90°
• β: 90.494 ± 0.002°
• γ: 90°
• Cell volume: 3769 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1145
• Weighted residual factors for all reflections included in the refinement: 0.1321
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No