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Information card for entry 2208508
Preview
Coordinates | 2208508.cif |
---|---|
Original IUCr paper | HTML |
Chemical name | 2-Ammoniopropylammonium μ-dodecasulfido-tetrasulfidodecaantimony |
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Formula | C3 H12 N2 S16 Sb10 |
Calculated formula | C3 H12 N2 S16 Sb10 |
SMILES | [Sb]1([S-])S[Sb]2S[Sb](S1)S[Sb]([S])S[Sb]1S[Sb](S1)S[Sb]([S])S[Sb]1S[Sb](S[Sb](S1)[S-])S[Sb](S[Sb]1S[Sb](S[Sb](S[Sb]3S[Sb]([S-])S[Sb]S3)S2)S1)S[Sb]1S[Sb]S[Sb](S1)[S-].C(C(C)[NH3+])[NH3+].C(C(C)[NH3+])[NH3+] |
Title of publication | 2-Ammoniopropylammonium dodeca-μ-sulfido-tetrasulfidodecaantimony |
Authors of publication | Puls, Angela; Näther, Christian; Bensch, Wolfgang |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 4 |
Pages of publication | m674 - m676 |
a | 17.48 ± 0.003 Å |
b | 10.922 ± 0.002 Å |
c | 18.03 ± 0.003 Å |
α | 90° |
β | 111.415 ± 0.01° |
γ | 90° |
Cell volume | 3204.6 ± 1 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0381 |
Residual factor for significantly intense reflections | 0.0241 |
Weighted residual factors for significantly intense reflections | 0.0534 |
Weighted residual factors for all reflections included in the refinement | 0.0558 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
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/2208508.html
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