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Information card for entry 2022310
Preview
| Coordinates | 2022310.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Dichloridodimethylbis[<i>N</i>,<i>N</i>',<i>N</i>''-tris(2-chlorobenzyl)phosphoric triamide]tin(IV) |
|---|---|
| Formula | C44 H48 Cl8 N6 O2 P2 Sn |
| Calculated formula | C44 H48 Cl8 N6 O2 P2 Sn |
| SMILES | C(NP(NCc1c(cccc1)Cl)(NCc1c(cccc1)Cl)=[O][Sn](C)(C)([O]=P(NCc1c(cccc1)Cl)(NCc1c(cccc1)Cl)NCc1c(cccc1)Cl)(Cl)Cl)c1ccccc1Cl |
| Title of publication | Conformational analysis of two new organotin(IV) structures completed with a CSD survey |
| Authors of publication | Sabbaghi, Fahimeh; As'habi, Azam; Saneei, Anahid; Pourayoubi, Mehrdad; Abdul Salam, Abdul Ajees; Nečas, Marek; Dušek, Michal; Kučeráková, Monika; Acharya, Sudarshan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2021 |
| Journal volume | 77 |
| Journal issue | 2 |
| Pages of publication | 68 - 80 |
| a | 15.4589 ± 0.0004 Å |
| b | 8.1983 ± 0.0003 Å |
| c | 20.6655 ± 0.0006 Å |
| α | 90° |
| β | 106.556 ± 0.002° |
| γ | 90° |
| Cell volume | 2510.49 ± 0.14 Å3 |
| Cell temperature | 120 ± 0.1 K |
| Ambient diffraction temperature | 120 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0266 |
| Residual factor for significantly intense reflections | 0.0234 |
| Weighted residual factors for significantly intense reflections | 0.0559 |
| Weighted residual factors for all reflections included in the refinement | 0.0581 |
| Goodness-of-fit parameter for significantly intense reflections | 1.32 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.31 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54184 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262765 (current) | 2021-03-05 | cif/ Updating files of 2022309, 2022310 Original log message: Adding full bibliography for 2022309--2022310.cif. |
2022310.cif |
| 260881 | 2021-01-09 | cif/ hkl/ Adding structures of 2022309, 2022310 via cif-deposit CGI script. |
2022310.cif |
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Users of the data should acknowledge the original authors of the
structural data.