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Information card for entry 1512462
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| Coordinates | 1512462.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | cluster of mercury and tellurium |
|---|---|
| Chemical name | Diphenyl ditelluride iodide mercury (II) complex . pyridine |
| Formula | C87 H75 Hg8 I2 N3 S Te12 |
| Calculated formula | C87 H75 Hg8 I2 N3 S Te12 |
| SMILES | [n]1(ccccc1)[Hg]12[Te](c3ccccc3)[Hg]34[Te](c5ccccc5)[Hg]5([Te](c6ccccc6)[Hg]6(S73[Hg]3([Te]5c5ccccc5)[Te](c5ccccc5)[Hg]([Te]6c5ccccc5)([Te](c5ccccc5)[Hg]7([Te]2c2ccccc2)[Te](c2ccccc2)[Hg]([n]2ccccc2)([Te]4c2ccccc2)[Te]3c2ccccc2)I)[Te]1c1ccccc1)I.n1ccccc1 |
| Title of publication | A facile preparation of two new isostructural metal-organochalcogen clusters from simple starting materials: Sonochemical synthesis, X-ray structures and spectroscopic remarks |
| Authors of publication | Maisy I.P.R. Modestoa; Simone Finotoa; Gleison Antonio Casagrandea; Cristiano Raminellib; Ernesto Schulz Langc; Davi F. Backc; Samuel Leite Oliveirad; Marco Antonio U. Martines |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2012 |
| Journal volume | 392 |
| Pages of publication | 103 - 107 |
| a | 30.0591 ± 0.0015 Å |
| b | 13.9742 ± 0.0006 Å |
| c | 27.4368 ± 0.0013 Å |
| α | 90° |
| β | 113.487 ± 0.002° |
| γ | 90° |
| Cell volume | 10570 ± 0.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1869 |
| Residual factor for significantly intense reflections | 0.0697 |
| Weighted residual factors for significantly intense reflections | 0.1193 |
| Weighted residual factors for all reflections included in the refinement | 0.1499 |
| 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 | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
1512462.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512462.cif |
| 89391 | 2013-10-24 | cif/ Adding structures of 1512462 via cif-deposit CGI script. |
1512462.cif |
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