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Information card for entry 1518709
Preview
| Coordinates | 1518709.cif |
|---|
| Formula | Ca H21 N7 S6 |
|---|---|
| Calculated formula | Ca H21 N7 S6 |
| SMILES | [S-]SSSS[S-].[NH3][Ca]([NH3])([NH3])([NH3])([NH3])([NH3])[NH3] |
| Title of publication | Crystal Structure of Calcium Heptaammine Hexasulfide, Ca(NH3)7S6 |
| Authors of publication | Schimek, George L.; Drake, Greg W.; Kolis, Joseph W. |
| Journal of publication | Acta Chemica Scandinavica |
| Year of publication | 1999 |
| Journal volume | 53 |
| Pages of publication | 145 - 148 |
| a | 12.143 ± 0.006 Å |
| b | 11.815 ± 0.007 Å |
| c | 11.505 ± 0.005 Å |
| α | 90° |
| β | 93.53 ± 0.04° |
| γ | 90° |
| Cell volume | 1647.5 ± 1.5 Å3 |
| Ambient diffraction temperature | 293 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 significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0412 |
| 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 |
|---|---|---|---|
| 186596 (current) | 2016-09-16 | cif/1/ Adding attached hydrogens to N and O atoms. |
1518709.cif |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
1518709.cif |
| 131577 | 2015-02-08 | cif/ Adding structures of 1518709 via cif-deposit CGI script. |
1518709.cif |
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Users of the data should acknowledge the original authors of the
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