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Information card for entry 1529404
Preview
| Coordinates | 1529404.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C57 H79 I2 N4 Si2 |
|---|---|
| Calculated formula | C57 H79 I2 N4 Si2 |
| SMILES | I[Si]([Si](I)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.CCCCCC |
| Title of publication | Silicon(i) chemistry: the NHC-stabilised silicon(i) halides Si2X2(Idipp)2(X = Br, I) and the disilicon(i)-iodido cation [Si2(I)(Idipp)2]+ |
| Authors of publication | Arz, Marius I.; Geiß, Daniel; Straßmann, Martin; Schnakenburg, Gregor; Filippou, Alexander C. |
| Journal of publication | Chem. Sci. |
| Year of publication | 2015 |
| Journal volume | 6 |
| Journal issue | 11 |
| Pages of publication | 6515 |
| a | 38.872 ± 0.002 Å |
| b | 15.6801 ± 0.0009 Å |
| c | 22.7851 ± 0.0013 Å |
| α | 90° |
| β | 125.507 ± 0.002° |
| γ | 90° |
| Cell volume | 11305.4 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.042 |
| Residual factor for significantly intense reflections | 0.0281 |
| Weighted residual factors for significantly intense reflections | 0.0644 |
| Weighted residual factors for all reflections included in the refinement | 0.0709 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.052 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
1529404.cif |
| 170981 | 2015-12-09 | cif/ Updating files of 1529403, 1529404, 1529405 Original log message: Adding full bibliography for 1529403--1529405.cif. |
1529404.cif |
| 153481 | 2015-08-18 | cif/ Adding structures of 1529403, 1529404, 1529405 via cif-deposit CGI script. |
1529404.cif |
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