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Information card for entry 4134438
Preview
Coordinates | 4134438.cif |
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Original paper (by DOI) | HTML |
Formula | C48 H54 Au N3 O2 |
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Calculated formula | C48 H54 Au N3 O2 |
SMILES | [Au](c1ccc(N(c2ccccc2)c2ccccc2)cc1)=C1N(C(=O)C(C(=O)N1c1c(cccc1C(C)C)C(C)C)(C)C)c1c(cccc1C(C)C)C(C)C |
Title of publication | Enhancement of the Luminescent Efficiency in Carbene-Au<sup>(I)</sup>-Aryl Complexes by the Restriction of Renner-Teller Distortion and Bond Rotation. |
Authors of publication | Li, Tian-Yi; Muthiah Ravinson, Daniel Sylvinson; Haiges, Ralf; Djurovich, Peter I.; Thompson, Mark E. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2020 |
Journal volume | 142 |
Journal issue | 13 |
Pages of publication | 6158 - 6172 |
a | 11.38 ± 0.002 Å |
b | 14.959 ± 0.003 Å |
c | 15.152 ± 0.003 Å |
α | 98.414 ± 0.003° |
β | 102.154 ± 0.003° |
γ | 101.174 ± 0.003° |
Cell volume | 2426.2 ± 0.8 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0173 |
Residual factor for significantly intense reflections | 0.0162 |
Weighted residual factors for significantly intense reflections | 0.0408 |
Weighted residual factors for all reflections included in the refinement | 0.0412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/4134438.html
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