Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4125573
Preview
Coordinates | 4125573.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C10 H20 N2 Se |
---|---|
Calculated formula | C10 H20 N2 Se |
SMILES | [Se]=C(NC1CCCCC1)N(CC)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 | 11.4233 ± 0.00009 Å |
b | 10.80265 ± 0.00008 Å |
c | 18.95402 ± 0.00015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2338.96 ± 0.03 Å3 |
Cell temperature | 100 ± 0.4 K |
Ambient diffraction temperature | 100 ± 0.4 K |
Number of distinct elements | 4 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0395 |
Residual factor for significantly intense reflections | 0.0377 |
Weighted residual factors for significantly intense reflections | 0.1017 |
Weighted residual factors for all reflections included in the refinement | 0.104 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
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/4125573.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.