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Information card for entry 2012417
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Coordinates | 2012417.cif |
---|---|
Original IUCr paper | HTML |
Common name | dicaesium calcium disilver thiocyanate dihydrate |
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Chemical name | dicaesium calcium disilver thiocyanate dihydrate |
Formula | C6 H4 Ag2 Ca Cs2 N6 O2 S6 |
Calculated formula | C6 H4 Ag2 Ca Cs2 N6 O2 S6 |
SMILES | [Cs+].N#CS[Ag](SC#N)[S](C#N)[Ag](SC#N)(SC#N)SC#N.[Cs+].[Ca+2].O.O |
Title of publication | Calcium dicaesium silver thiocyanate dihydrate |
Authors of publication | Nättinen, Kalle; GünesĖ¨, Minna; Valkonen, Jussi |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2002 |
Journal volume | 58 |
Journal issue | 1 |
Pages of publication | i21 - i22 |
a | 7.8696 ± 0.0001 Å |
b | 19.091 ± 0.0002 Å |
c | 7.7411 ± 0.0001 Å |
α | 90° |
β | 93.338 ± 0.001° |
γ | 90° |
Cell volume | 1161.04 ± 0.02 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 8 |
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 | 0.0397 |
Residual factor for significantly intense reflections | 0.0332 |
Weighted residual factors for significantly intense reflections | 0.057 |
Weighted residual factors for all reflections included in the refinement | 0.0587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.123 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2012417.html
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