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Information card for entry 4119518
Preview
Coordinates | 4119518.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C55 H72 Au B9 N2 O P2 S |
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Calculated formula | C55 H72 Au B9 N2 O P2 S |
SMILES | [Au]1([P]([C]234[BH]56[BH]789[H][BH]%10%119[BH]9%128[BH]857[BH]526[BH]263[BH]%109([BH]%12852)[C]4%116[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CS(C)=O |
Title of publication | N-Heterocyclic Carbene Ligands as Modulators of Luminescence in Three-Coordinate Gold(I) Complexes with Spectacular Quantum Yields |
Authors of publication | Renso Visbal; Isaura Ospino; José M. López-de-Luzuriaga; Antonio Laguna; M. Concepción Gimeno |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 4712 - 4715 |
a | 12.464 ± 0.0001 Å |
b | 21.6176 ± 0.0002 Å |
c | 20.8186 ± 0.0003 Å |
α | 90° |
β | 97.338 ± 0.001° |
γ | 90° |
Cell volume | 5563.46 ± 0.11 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0249 |
Residual factor for significantly intense reflections | 0.0209 |
Weighted residual factors for significantly intense reflections | 0.0478 |
Weighted residual factors for all reflections included in the refinement | 0.0496 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.043 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4119518.html
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Users of the data should acknowledge the original authors of the
structural data.