Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4106228
Preview
Coordinates | 4106228.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C42 H40 B F24 P3 Pt |
---|---|
Calculated formula | C42 H40 B F24 P3 Pt |
SMILES | [Pt]1([P](C)(C)CC[P]1(C)C)([P](C)(C)C)C.FC(F)(F)c1cc(cc(c1)C(F)(F)F)[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(C(F)(F)F)c1)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F |
Title of publication | Transmetalation of Methyl Groups Supported by PtII-AuI Bonds in the Gas Phase, in Silico, and in Solution |
Authors of publication | Daniel Serra; Marc-Etienne Moret; Peter Chen |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 8914 - 8926 |
a | 12.4804 ± 0.0003 Å |
b | 12.9209 ± 0.0004 Å |
c | 33.2367 ± 0.0012 Å |
α | 86.982 ± 0.002° |
β | 85.996 ± 0.002° |
γ | 69.5802 ± 0.0012° |
Cell volume | 5008.3 ± 0.3 Å3 |
Cell temperature | 123 K |
Ambient diffraction temperature | 123 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 | 0.1537 |
Residual factor for significantly intense reflections | 0.0811 |
Weighted residual factors for significantly intense reflections | 0.175 |
Weighted residual factors for all reflections included in the refinement | 0.2149 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
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/4106228.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.