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Information card for entry 7003305
Preview
| Coordinates | 7003305.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C25 H29 B10 Cl N P Pd S |
|---|---|
| Calculated formula | C25 H29 B10 Cl N P Pd S |
| SMILES | [Pd]1(Cl)(S[C]2345[C]678([BH]9%102[BH]2%116[BH]6%127[BH]738[BH]38%12[BH]%12%116[BH]6%102[BH]249[BH]573[BH]8%1262)c2[n]1cccc2)[P](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis, reactivity and complexation studies of N,S exo-heterodisubstituted o-carborane ligands. Carborane as a platform to produce the uncommon bidentate chelating (pyridine)N-C-C-C-S(H) motif |
| Authors of publication | Teixidor, F.; Laromaine, A.; Kivekäs, R.; Sillanpää, R.; Viñas, C.; Vespalec, R.; Horáková, H. |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 3 |
| Pages of publication | 345 |
| a | 9.3314 ± 0.0004 Å |
| b | 11.9503 ± 0.0006 Å |
| c | 15.281 ± 0.0004 Å |
| α | 104.695 ± 0.002° |
| β | 98.904 ± 0.002° |
| γ | 111.702 ± 0.002° |
| Cell volume | 1471.71 ± 0.11 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0461 |
| Residual factor for significantly intense reflections | 0.0316 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0693 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.027 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | Mokα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179737 (current) | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/33. |
7003305.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7003305.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7003305.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7003305.cif |
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