Information card for entry 7041413

Structure parameters

• Formula: C42 H43 Cu N2 O3 Si
• Calculated formula: C42 H43 Cu N2 O3 Si
• SMILES: [Cu](O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C(=O)C(C(=O)N1c1c(cc(cc1C)C)C)(C)C)c1c(cc(cc1C)C)C
• Title of publication: Synthesis and characterization of phosphorescent two-coordinate copper(i) complexes bearing diamidocarbene ligands.
• Authors of publication: Shi, Shuyang; Collins, Lee R.; Mahon, Mary F.; Djurovich, Peter I.; Thompson, Mark E.; Whittlesey, Michael K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 745 - 752
• a: 17.489 ± 0.0003 Å
• b: 8.991 ± 0.0002 Å
• c: 24.507 ± 0.0006 Å
• α: 90°
• β: 106.838 ± 0.001°
• γ: 90°
• Cell volume: 3688.36 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 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: 0.0616
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No