Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2020423
Preview
| Coordinates | 2020423.cif |
|---|---|
| Structure factors | 2020423.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dichlorido[tris(piperidin-1-yl)phosphane oxide-κ<i>O</i>]mercury(II)‒dichloridomercury(II) (2/1) |
|---|---|
| Formula | C30 H60 Cl6 Hg3 N6 O2 P2 |
| Calculated formula | C30 H60 Cl6 Hg3 N6 O2 P2 |
| SMILES | C1CCCCN1P(N1CCCCC1)(N1CCCCC1)=[O][Hg](Cl)Cl.[Hg](Cl)Cl.[Hg]([O]=P(N1CCCCC1)(N1CCCCC1)N1CCCCC1)(Cl)Cl |
| Title of publication | The first phosphoramide‒mercury(II) complex with a Cl~2~Hg‒OP[N(C)(C)]~3~ segment |
| Authors of publication | Saneei, Anahid; Pourayoubi, Mehrdad; Crochet, Aurelien; Fromm, Katharina M. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2016 |
| Journal volume | 72 |
| Journal issue | 3 |
| Pages of publication | 230 - 233 |
| a | 11.1182 ± 0.0015 Å |
| b | 10.5995 ± 0.0008 Å |
| c | 19.338 ± 0.003 Å |
| α | 90° |
| β | 96.337 ± 0.011° |
| γ | 90° |
| Cell volume | 2265 ± 0.5 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0497 |
| Residual factor for significantly intense reflections | 0.0363 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0744 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181874 (current) | 2016-04-06 | hkl/2/02/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/02/04 |
2020423.cif 2020423.hkl |
| 181470 | 2016-04-04 | cif/ Updating files of 2020423 Original log message: Adding full bibliography for 2020423.cif. |
2020423.cif 2020423.hkl |
| 176982 | 2016-02-26 | cif/ hkl/ Adding structures of 2020423 via cif-deposit CGI script. |
2020423.cif 2020423.hkl |
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.