Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125572
Preview
Coordinates | 4125572.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C11 H22 N2 Se |
---|---|
Calculated formula | C11 H22 N2 Se |
SMILES | [Se]=C(NC1CCCCC1)N(C(C)C)C |
Title of publication | A Library of Selenourea Precursors to PbSe Nanocrystals with Size Distributions near the Homogeneous Limit. |
Authors of publication | Campos, Michael P.; Hendricks, Mark P.; Beecher, Alexander N.; Walravens, Willem; Swain, Robert A.; Cleveland, Gregory T.; Hens, Zeger; Sfeir, Matthew Y.; Owen, Jonathan S. |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2017 |
Journal volume | 139 |
Journal issue | 6 |
Pages of publication | 2296 - 2305 |
a | 20.94407 ± 0.00019 Å |
b | 9.68682 ± 0.0001 Å |
c | 6.187 ± 0.00006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1255.23 ± 0.02 Å3 |
Cell temperature | 99.9 ± 0.4 K |
Ambient diffraction temperature | 99.9 ± 0.4 K |
Number of distinct elements | 4 |
Space group number | 33 |
Hermann-Mauguin space group symbol | P n a 21 |
Hall space group symbol | P 2c -2n |
Residual factor for all reflections | 0.04 |
Residual factor for significantly intense reflections | 0.0394 |
Weighted residual factors for significantly intense reflections | 0.099 |
Weighted residual factors for all reflections included in the refinement | 0.1001 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/4125572.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.