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Information card for entry 4343176
Preview
| Coordinates | 4343176.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C32 H47 B Cd F2 N6 O3 S3 |
|---|---|
| Calculated formula | C32 H47 B Cd F2 N6 O3 S3 |
| SMILES | [Cd]123([O]=C(O1)c1cc(F)cc(F)c1)[S]=C1N([BH](N4C(=[S]2)N(C=C4)C(C)(C)C)N2C(=[S]3)N(C=C2)C(C)(C)C)C=CN1C(C)(C)C.O(CC)CC |
| Title of publication | Synthesis and Structures of Cadmium Carboxylate and Thiocarboxylate Compounds with a Sulfur-Rich Coordination Environment: Carboxylate Exchange Kinetics Involving Tris(2-mercapto-1-t-butylimidazolyl)hydroborato Cadmium Complexes, [Tm(Bu(t))]Cd(O2CR). |
| Authors of publication | Kreider-Mueller, Ava; Quinlivan, Patrick J.; Owen, Jonathan S.; Parkin, Gerard |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 8 |
| Pages of publication | 3835 - 3850 |
| a | 11.0534 ± 0.0007 Å |
| b | 18.2044 ± 0.0011 Å |
| c | 18.9143 ± 0.0011 Å |
| α | 90° |
| β | 90.536 ± 0.001° |
| γ | 90° |
| Cell volume | 3805.8 ± 0.4 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0394 |
| Residual factor for significantly intense reflections | 0.029 |
| Weighted residual factors for significantly intense reflections | 0.0669 |
| Weighted residual factors for all reflections included in the refinement | 0.0728 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
4343176.cif |
| 137926 | 2015-06-04 | cif/ Adding structures of 4343176 via cif-deposit CGI script. |
4343176.cif |
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Users of the data should acknowledge the original authors of the
structural data.