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Information card for entry 7033648
Preview
| Coordinates | 7033648.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H78 N2 O20 Se2 Te4 |
|---|---|
| Calculated formula | C80 H78 N2 O20 Se2 Te4 |
| SMILES | c1(ccc(cc1)OC)[Te]1(c2ccc(OC)cc2)O[Te](c2ccc(cc2)OC)(c2ccc(OC)cc2)O[Se+](O[Te](c2ccc(cc2)OC)(c2ccc(OC)cc2)O[Te](O[Se+](O1)c1ccccc1)(c1ccc(OC)cc1)c1ccc(OC)cc1)c1ccccc1.N(=O)(=O)[O-].c1ccccc1.N(=O)(=O)[O-].c1ccccc1 |
| Title of publication | Te4Se2O6 macrocycle stabilizing triangular planar and tetrahedral anions. |
| Authors of publication | Srungavruksham, Nagarjuna Kumar; Baskar, Viswanathan |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 10 |
| Pages of publication | 4554 - 4559 |
| a | 11.9793 ± 0.0008 Å |
| b | 13.0047 ± 0.0009 Å |
| c | 14.3277 ± 0.001 Å |
| α | 107.536 ± 0.001° |
| β | 109.969 ± 0.001° |
| γ | 92.513 ± 0.001° |
| Cell volume | 1973.4 ± 0.2 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0208 |
| Residual factor for significantly intense reflections | 0.0198 |
| Weighted residual factors for significantly intense reflections | 0.0493 |
| Weighted residual factors for all reflections included in the refinement | 0.0498 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.091 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180042 (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 7/03/36. |
7033648.cif |
| 133321 | 2015-03-06 | cif/ Updating files of 7033648, 7033649, 7033650 Original log message: Adding full bibliography for 7033648--7033650.cif. |
7033648.cif |
| 129684 | 2015-01-16 | cif/ Adding structures of 7033648, 7033649, 7033650 via cif-deposit CGI script. |
7033648.cif |
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