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Information card for entry 2014301
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Coordinates | 2014301.cif |
---|---|
Structure factors | 2014301.hkl |
Original IUCr paper | HTML |
Common name | ((±)trans-1,2cnH)~2~ tetrathiomolybdate(VI) |
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Chemical name | Bis[(±)trans-2-aminocyclohexylammonium] tetrathiomolybdate(VI) |
Formula | C12 H30 Mo N4 S4 |
Calculated formula | C12 H30 Mo N4 S4 |
SMILES | [C@@H]1([C@@H](CCCC1)N)[NH3+].S=[Mo](=S)([S-])[S-].[C@H]1([C@H](CCCC1)N)[NH3+] |
Title of publication | Bis[(±)-<i>trans</i>-2-aminocyclohexylammonium] tetrathiomolybdate(VI) and <i>trans</i>-cyclohexane-1,4-diammonium tetrathiomolybdate(VI) |
Authors of publication | Srinivasan, Bikshandarkoil R.; Näther, Christian; Bensch, Wolfgang |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 3 |
Pages of publication | m98 - m101 |
a | 19.279 ± 0.003 Å |
b | 9.4502 ± 0.0011 Å |
c | 11.3308 ± 0.0016 Å |
α | 90° |
β | 107.736 ± 0.012° |
γ | 90° |
Cell volume | 1966.2 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 5 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0402 |
Residual factor for significantly intense reflections | 0.0244 |
Weighted residual factors for significantly intense reflections | 0.0565 |
Weighted residual factors for all reflections included in the refinement | 0.0605 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.039 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2014301.html
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Users of the data should acknowledge the original authors of the
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