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Information card for entry 4125570
Preview
| Coordinates | 4125570.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C9 H18 N2 Se |
|---|---|
| Calculated formula | C9 H18 N2 Se |
| SMILES | [Se]=C(NC1CCCCC1)N(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 | 10.58561 ± 0.00017 Å |
| b | 10.51744 ± 0.00017 Å |
| c | 9.66073 ± 0.00016 Å |
| α | 90° |
| β | 96.1599 ± 0.0015° |
| γ | 90° |
| Cell volume | 1069.35 ± 0.03 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0291 |
| Residual factor for significantly intense reflections | 0.0238 |
| Weighted residual factors for significantly intense reflections | 0.0489 |
| Weighted residual factors for all reflections included in the refinement | 0.0507 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.068 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301834 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/12/ Each referenced PubChem compound corresponds to the full crystal structure. |
4125570.cif |
| 193512 | 2017-03-04 | cif/ Updating files of 4125565, 4125566, 4125567, 4125568, 4125569, 4125570, 4125571, 4125572, 4125573, 4125574, 4125575, 4125576, 4125577, 4125578, 4125579 Original log message: Adding full bibliography for 4125565--4125579.cif. |
4125570.cif |
| 192619 | 2017-03-01 | cif/ Adding structures of 4125570 via cif-deposit CGI script. |
4125570.cif |
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Users of the data should acknowledge the original authors of the
structural data.