Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1551977
Preview
Coordinates | 1551977.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C44 H28 Au N4 |
---|---|
Calculated formula | C44 H28 Au N4 |
SMILES | c12=C(c3[n]4[Au]56n1c(=C(c1[n]5c(=C(c5ccccc5)c5ccc(C(=c4cc3)c3ccccc3)n65)cc1)c1ccccc1)cc2)c1ccccc1 |
Title of publication | Structure and reactivity of a mononuclear gold(II) complex |
Authors of publication | Sebastian Preiss; Christoph Forster; Sven Otto; Matthias Bauer; Patrick Muller; Dariush Hinderberger; Haleh Hashemi Haeri; Luca Carella; Katja Heinze |
Journal of publication | Nature Chemistry |
Year of publication | 2017 |
Journal volume | 9 |
Pages of publication | 1249 - 1255 |
a | 6.1691 ± 0.0002 Å |
b | 10.6043 ± 0.0004 Å |
c | 12.4939 ± 0.0005 Å |
α | 97.479 ± 0.001° |
β | 97.453 ± 0.001° |
γ | 99.925 ± 0.001° |
Cell volume | 788.51 ± 0.05 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0249 |
Residual factor for significantly intense reflections | 0.0246 |
Weighted residual factors for significantly intense reflections | 0.0569 |
Weighted residual factors for all reflections included in the refinement | 0.0569 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
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/1551977.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.