Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7132972
Preview
Coordinates | 7132972.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H50 Fe N4 P2 |
---|---|
Calculated formula | C48 H50 Fe N4 P2 |
Title of publication | <i>Z</i>-selective dimerization of terminal alkynes by a (PNNP)Fe<sup>II</sup> complex. |
Authors of publication | Stevens, Jeremiah E.; Miller, Justin D.; Fitzsimmons, Matthew C.; Moore, Curtis E.; Thomas, Christine M. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2024 |
Journal volume | 60 |
Journal issue | 39 |
Pages of publication | 5169 - 5172 |
a | 10.7765 ± 0.0008 Å |
b | 13.6127 ± 0.0009 Å |
c | 14.6156 ± 0.001 Å |
α | 90.015 ± 0.002° |
β | 96.865 ± 0.003° |
γ | 100.703 ± 0.002° |
Cell volume | 2091.1 ± 0.3 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0423 |
Residual factor for significantly intense reflections | 0.0324 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.089 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Diffraction radiation X-ray symbol | K-L~3~ |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7132972.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.