Information card for entry 4127274

Structure parameters

• Formula: C39 H51 Au N2
• Calculated formula: C39 H51 Au N2
• SMILES: c12ccccc1c1ccccc1n2[Au]=C1[C@@]2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)C[C@@H](CC[C@H]2C(C)C)C.c12ccccc1c1ccccc1n2[Au]=C1[C@]2(CC(C)(C)N1c1c(cccc1C(C)C)C(C)C)C[C@H](CC[C@@H]2C(C)C)C
• Title of publication: "Quick-Silver" from a Systematic Study of Highly Luminescent, Two-Coordinate, d¹⁰ Coinage Metal Complexes.
• Authors of publication: Hamze, Rasha; Shi, Shuyang; Kapper, Savannah C.; Muthiah Ravinson, Daniel Sylvinson; Estergreen, Laura; Jung, Moon-Chul; Tadle, Abegail C.; Haiges, Ralf; Djurovich, Peter I.; Peltier, Jesse L.; Jazzar, Rodolphe; Bertrand, Guy; Bradforth, Stephen E.; Thompson, Mark E.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2019
• Journal volume: 141
• Journal issue: 21
• Pages of publication: 8616 - 8626
• a: 9.808 ± 0.0005 Å
• b: 18.5499 ± 0.0009 Å
• c: 18.9205 ± 0.001 Å
• α: 90°
• β: 91.464 ± 0.001°
• γ: 90°
• Cell volume: 3441.2 ± 0.3 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 2 K
• Number of distinct elements: 4
• 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: 0.0267
• Residual factor for significantly intense reflections: 0.0206
• Weighted residual factors for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.0428
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No