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Information card for entry 1518709
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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 |
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