Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7031557
Preview
Coordinates | 7031557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C16 H37 Cr N3 Se |
---|---|
Calculated formula | C16 H37 Cr N3 Se |
SMILES | [Se]([Cr](N(C(C)C)C(C)C)(N(C(C)C)C(C)C)#N)C(C)(C)C |
Title of publication | Effective donor abilities of E-t-Bu and EPh (E = O, S, Se, Te) to a high valent transition metal. |
Authors of publication | Bemowski, Ross D.; Singh, Amrendra K.; Bajorek, Bailey J.; DePorre, Yvonne; Odom, Aaron L. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2014 |
Journal volume | 43 |
Journal issue | 32 |
Pages of publication | 12299 - 12305 |
a | 13.0772 ± 0.0009 Å |
b | 9.4776 ± 0.0007 Å |
c | 17.8289 ± 0.0013 Å |
α | 90° |
β | 105.233 ± 0.001° |
γ | 90° |
Cell volume | 2132.1 ± 0.3 Å3 |
Cell temperature | 173.13 K |
Ambient diffraction temperature | 173.15 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0532 |
Residual factor for significantly intense reflections | 0.0342 |
Weighted residual factors for significantly intense reflections | 0.0763 |
Weighted residual factors for all reflections included in the refinement | 0.0845 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0162 |
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/7031557.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.