Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1564552
Preview
Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1564552.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C14 H28 Hg N2 S4 |
---|---|
Calculated formula | C14 H28 Hg N2 S4 |
SMILES | [Hg]12([S]=C(N(CCC)CCC)S1)[S]=C(N(CCC)CCC)S2 |
Title of publication | Crystal structure, solid-state 13C and 15N NMR characterisation, chemisorption activity and thermal behaviour of new mercury(II) dipropyldithiocarbamate: Binuclear, pseudo-binuclear and heteronuclear complexes of [Hg2(PrDtc)4], [Hg(PrDtc)2]2 and [Au(PrDtc)2]2[Hg2Cl6] |
Authors of publication | Rodina, Tatyana A.; Loseva, Olga V.; Smolentsev, Anton I.; Antzutkin, Oleg N.; Ivanov, Alexander V. |
Journal of publication | Inorganica Chimica Acta |
Year of publication | 2020 |
Journal volume | 508 |
Pages of publication | 119630 |
a | 10.5935 ± 0.0005 Å |
b | 11.3692 ± 0.0005 Å |
c | 16.9616 ± 0.0008 Å |
α | 90° |
β | 94.076 ± 0.002° |
γ | 90° |
Cell volume | 2037.68 ± 0.16 Å3 |
Cell temperature | 150 ± 2 K |
Ambient diffraction temperature | 150 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0547 |
Residual factor for significantly intense reflections | 0.0328 |
Weighted residual factors for significantly intense reflections | 0.0623 |
Weighted residual factors for all reflections included in the refinement | 0.0673 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.001 |
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/1564552.html
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.