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Information card for entry 4080419
Preview
Coordinates | 4080419.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C62 H74 Au2 Hg2 I6 N10 |
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Calculated formula | C62 H74 Au2 Hg2 I6 N10 |
SMILES | [I]1[Hg]([I][Hg]1(I)I)(I)I.[Au]1=C2N(c3cccc(n3)N3C(=[Au]=C4N(c5cccc(n5)N5C=1N(c1c5cccc1)CCCCCC)c1ccccc1N4CCCCCC)N(c1ccccc31)CCCCCC)c1c(N2CCCCCC)cccc1 |
Title of publication | Gold Complexes with Tridentate Cyclometalating and NHC Ligands: A Search for New Photoluminescent Gold(III) Compounds |
Authors of publication | Herbst, Annika; Bronner, Catherine; Dechambenoit, Pierre; Wenger, Oliver S. |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 6 |
Pages of publication | 1807 |
a | 15.568 ± 0.006 Å |
b | 16.01 ± 0.006 Å |
c | 17.581 ± 0.007 Å |
α | 70.348 ± 0.018° |
β | 81.3 ± 0.02° |
γ | 61.965 ± 0.016° |
Cell volume | 3642 ± 3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0696 |
Residual factor for significantly intense reflections | 0.0425 |
Weighted residual factors for significantly intense reflections | 0.121 |
Weighted residual factors for all reflections included in the refinement | 0.1361 |
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 |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4080419.html
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Users of the data should acknowledge the original authors of the
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