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Information card for entry 2240178
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| Coordinates | 2240178.cif |
|---|---|
| Structure factors | 2240178.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV) |
|---|---|
| Formula | C44 H40 I6 O4 P2 Te |
| Calculated formula | C44 H40 I6 O4 P2 Te |
| SMILES | C1(=O)OCC(C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Te](I)(I)(I)(I)([I-])[I-].C1(=O)CC(CO1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Crystal structure of bis[(5-oxooxolan-3-yl)triphenylphosphanium] hexaiodidotellurate(IV) |
| Authors of publication | Närhi, Sari M.; Oilunkaniemi, Raija; Laitinen, Risto S. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 12 |
| Pages of publication | o1241 |
| a | 9.4479 ± 0.0019 Å |
| b | 11.022 ± 0.002 Å |
| c | 13.259 ± 0.003 Å |
| α | 74.64 ± 0.03° |
| β | 69.7 ± 0.03° |
| γ | 77.28 ± 0.03° |
| Cell volume | 1236.1 ± 0.5 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 | 0.041 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0731 |
| Weighted residual factors for all reflections included in the refinement | 0.0775 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181901 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/01 |
2240178.cif 2240178.hkl |
| 181321 | 2016-04-03 | hkl/2/24/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/24/01. |
2240178.cif 2240178.hkl |
| 176809 | 2016-02-21 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 2. |
2240178.cif 2240178.hkl |
| 126294 | 2014-11-06 | cif/ hkl/ Adding structures of 2240178 via cif-deposit CGI script. |
2240178.cif 2240178.hkl |
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Users of the data should acknowledge the original authors of the
structural data.