Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4132458
Preview
Coordinates | 4132458.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C64 H88 Au2 Cl6 F12 N2 P2 Sb2 |
---|---|
Calculated formula | C64 H88 Au2 Cl6 F12 N2 P2 Sb2 |
SMILES | C[N]1(C)c2ccccc2[P](C23CC4CC(CC(C2)C4)C3)([Au]1(c1ccc([Au]2([N](C)(C)c3ccccc3[P]2(C23CC4CC(CC(C2)C4)C3)C23CC4CC(CC(C2)C4)C3)Cl)cc1)Cl)C12CC3CC(CC(C1)C3)C2.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl.F[Sb](F)(F)(F)(F)[F-].C(Cl)Cl |
Title of publication | Organometallic Gold(III) Reagents for Cysteine Arylation. |
Authors of publication | Messina, Marco S.; Stauber, Julia M.; Waddington, Mary A.; Rheingold, Arnold L.; Maynard, Heather D.; Spokoyny, Alexander M. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2018 |
Journal volume | 140 |
Journal issue | 23 |
Pages of publication | 7065 - 7069 |
a | 20.8838 ± 0.001 Å |
b | 17.9885 ± 0.001 Å |
c | 18.4736 ± 0.001 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6939.9 ± 0.6 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 8 |
Space group number | 56 |
Hermann-Mauguin space group symbol | P c c n |
Hall space group symbol | -P 2ab 2ac |
Residual factor for all reflections | 0.0913 |
Residual factor for significantly intense reflections | 0.0468 |
Weighted residual factors for significantly intense reflections | 0.1034 |
Weighted residual factors for all reflections included in the refinement | 0.1292 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
Diffraction radiation probe | x-ray |
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/4132458.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.