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Information card for entry 1518059
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| Coordinates | 1518059.cif |
|---|
| Formula | C12 H48 Ba3 N12 Sb2 Se6 |
|---|---|
| Calculated formula | C12 Ba3 N12 Sb2 Se6 |
| SMILES | [Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Ba]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Sb]([Se-])([Se-])[Se-].[Sb]([Se-])([Se-])[Se-] |
| Title of publication | [Ba-(en)2]3(SbSe3)2 : A salt with a molecular structure |
| Authors of publication | Konig, Karl-Theodor; Eisenmann, Brigitte; Schafer, Herbert |
| Journal of publication | Revue de Chimie Minerale |
| Year of publication | 1984 |
| Journal volume | 21 |
| Pages of publication | 640 - 647 |
| a | 16.144 ± 0.007 Å |
| b | 16.144 ± 0.007 Å |
| c | 27.523 ± 0.007 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6212 ± 4 Å3 |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 6 |
| Space group number | 167 |
| Hermann-Mauguin space group symbol | R -3 c :H |
| Hall space group symbol | -R 3 2"c |
| Weighted residual factors for significantly intense reflections | 0.049 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1518059.cif |
| 125571 | 2014-10-20 | cif/ Adding structures of 1518059 via cif-deposit CGI script. |
1518059.cif |
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Users of the data should acknowledge the original authors of the
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