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Information card for entry 4084618
Preview
| Coordinates | 4084618.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H83 Br N6 O2 Si4 Sn |
|---|---|
| Calculated formula | C60.5 H79 Br N6 O2 Si4 Sn |
| SMILES | [Sn]123(Br)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([N](=C(N([Si](C)(C)C)[Si](C)(C)C)N3c1ccc(cc1)C)c1ccc(cc1)C)[N](=C(N2c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)C)c1ccc(cc1)C.c1c(cccc1)C |
| Title of publication | Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ? |
| Authors of publication | Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2202 |
| a | 12.179 ± 0.0007 Å |
| b | 21.885 ± 0.003 Å |
| c | 25.965 ± 0.004 Å |
| α | 96.716 ± 0.01° |
| β | 102.547 ± 0.007° |
| γ | 101.932 ± 0.008° |
| Cell volume | 6513.8 ± 1.4 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0571 |
| Residual factor for significantly intense reflections | 0.0396 |
| Weighted residual factors for significantly intense reflections | 0.073 |
| Weighted residual factors for all reflections included in the refinement | 0.0786 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.077 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178735 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/46. |
4084618.cif |
| 140230 | 2015-07-05 | cif/ Updating files of 4084614, 4084615, 4084616, 4084617, 4084618, 4084619 Original log message: Adding full bibliography for 4084614--4084619.cif. |
4084618.cif |
| 126103 | 2014-10-31 | cif/ Adding structures of 4084614, 4084615, 4084616, 4084617, 4084618, 4084619 via cif-deposit CGI script. |
4084618.cif |
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Users of the data should acknowledge the original authors of the
structural data.