Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7034082
Preview
| Coordinates | 7034082.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H74 Hg N8 P4 Se4 |
|---|---|
| Calculated formula | C32 H74 Hg N8 P4 Se4 |
| SMILES | [Hg]12([Se]P3(N(C(C)(C)C)P(=[Se]1)(NC(C)(C)C)N3C(C)(C)C)=NC(C)(C)C)[Se]P1(N(C(C)(C)C)P(=[Se]2)(NC(C)(C)C)N1C(C)(C)C)=NC(C)(C)C |
| Title of publication | Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions. |
| Authors of publication | Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5338 - 5346 |
| a | 28.096 ± 0.003 Å |
| b | 28.096 ± 0.003 Å |
| c | 16.694 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 13178 ± 3 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 K |
| Number of distinct elements | 6 |
| Space group number | 85 |
| Hermann-Mauguin space group symbol | P 4/n :2 |
| Hall space group symbol | -P 4a |
| Residual factor for all reflections | 0.0953 |
| Residual factor for significantly intense reflections | 0.0575 |
| Weighted residual factors for significantly intense reflections | 0.1837 |
| Weighted residual factors for all reflections included in the refinement | 0.2089 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40. |
7034082.cif |
| 134998 | 2015-04-06 | cif/ Updating files of 7034082, 7034083, 7034084, 7034085, 7034086 Original log message: Adding full bibliography for 7034082--7034086.cif. |
7034082.cif |
| 131970 | 2015-02-18 | cif/ Adding structures of 7034082, 7034083, 7034084, 7034085, 7034086 via cif-deposit CGI script. |
7034082.cif |
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.