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Information card for entry 4309349
Preview
| Coordinates | 4309349.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C18 H26 Cd N2 Se2 |
|---|---|
| Calculated formula | C18 H26 Cd N2 Se2 |
| SMILES | [Cd]1([Se]c2ccccc2)([Se]c2ccccc2)[N](CC[N]1(C)C)(C)C |
| Title of publication | Stabilization of the Thermodynamically Favored Polymorph of Cadmium Chalcogenide Nanoparticles CdX (X = S, Se, Te) in the Polar Mesopores of SBA-15 Silica |
| Authors of publication | Maekele Yosef; Andreas K. Schaper; Michael Fröba; Sabine Schlecht |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2005 |
| Journal volume | 44 |
| Pages of publication | 5890 - 5896 |
| a | 13.0316 ± 0.0009 Å |
| b | 11.3545 ± 0.0007 Å |
| c | 14.6048 ± 0.0011 Å |
| α | 90° |
| β | 114.121 ± 0.005° |
| γ | 90° |
| Cell volume | 1972.3 ± 0.2 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0347 |
| Residual factor for significantly intense reflections | 0.03 |
| Weighted residual factors for significantly intense reflections | 0.0827 |
| Weighted residual factors for all reflections included in the refinement | 0.0852 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301836 (current) | 2025-08-20 | Add cross-references to PubChem compounds in COD range 4/30/ Each referenced PubChem compound corresponds to the full crystal structure. |
4309349.cif |
| 179131 | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/93. |
4309349.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4309349.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4309349.cif |
| 1526 | 2010-09-26 | cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming). |
4309349.cif |
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