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Information card for entry 4510547
Preview
| Coordinates | 4510547.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C52 H60 Cl8 Hg2 N4 S10 |
|---|---|
| Calculated formula | C50 H58 Cl4 Hg2 N4 S10 |
| Title of publication | Synthesis of a Self-Assembled Hg(II)-Dithiocarbamate Metallomacrocycle |
| Authors of publication | Guzmán-Percástegui, Edmundo; Zakharov, Lev N.; Alvarado-Rodríguez, José G.; Carnes, Matthew E.; Johnson, Darren W. |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2014 |
| Journal volume | 14 |
| Journal issue | 5 |
| Pages of publication | 2087 |
| a | 13.637 ± 0.002 Å |
| b | 14.171 ± 0.002 Å |
| c | 17.781 ± 0.003 Å |
| α | 91.749 ± 0.003° |
| β | 93.012 ± 0.002° |
| γ | 111.296 ± 0.002° |
| Cell volume | 3192.6 ± 0.8 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0752 |
| Residual factor for significantly intense reflections | 0.0497 |
| Weighted residual factors for significantly intense reflections | 0.1074 |
| Weighted residual factors for all reflections included in the refinement | 0.1165 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179652 (current) | 2016-03-24 | cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/05. |
4510547.cif |
| 115650 | 2014-06-05 | cif/ Updating files of 4510547 Original log message: Adding full bibliography for 4510547.cif. |
4510547.cif |
| 112234 | 2014-04-30 | cif/ Adding structures of 4510547 via cif-deposit CGI script. |
4510547.cif |
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Users of the data should acknowledge the original authors of the
structural data.