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Information card for entry 1557238
Preview
| Coordinates | 1557238.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H36 Au B10 Cl2 F6 P2 Sb |
|---|---|
| Calculated formula | C29 H36 Au B10 Cl2 F6 P2 Sb |
| SMILES | [CH2]1=[CH2][Au]21[P]([C]1345[C]678([P]2(c2ccccc2)c2ccccc2)[BH]291[BH]1%104[BH]4%115[BH]536[BH]368[BH]872[BH]291[BH]1%10%11[BH]453[BH]6821)(c1ccccc1)c1ccccc1.F[Sb](F)(F)([F-])(F)F.ClCCl |
| Title of publication | Versatility and adaptative behaviour of the P^N chelating ligand MeDalphos within gold(i) π complexes |
| Authors of publication | Navarro, Miquel; Toledo, Alberto; Mallet-Ladeira, Sonia; Sosa Carrizo, E. Daiann; Miqueu, Karinne; Bourissou, Didier |
| Journal of publication | Chemical Science |
| Year of publication | 2020 |
| Journal volume | 11 |
| Journal issue | 10 |
| Pages of publication | 2750 - 2758 |
| a | 10.0221 ± 0.0004 Å |
| b | 13.3021 ± 0.0005 Å |
| c | 14.7578 ± 0.0006 Å |
| α | 90° |
| β | 95.633 ± 0.002° |
| γ | 90° |
| Cell volume | 1957.94 ± 0.13 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 7 |
| Hermann-Mauguin space group symbol | P 1 n 1 |
| Hall space group symbol | P -2yac |
| Residual factor for all reflections | 0.0325 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0755 |
| Weighted residual factors for all reflections included in the refinement | 0.0767 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 257289 (current) | 2020-10-06 | cif/ Updating files of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 Original log message: Adding full bibliography for 1557234--1557239.cif. |
1557238.cif |
| 250214 | 2020-04-05 | cif/ Updating files of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 Original log message: Adding full bibliography for 1557234--1557239.cif. |
1557238.cif |
| 247875 | 2020-02-05 | cif/ Adding structures of 1557234, 1557235, 1557236, 1557237, 1557238, 1557239 via cif-deposit CGI script. |
1557238.cif |
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Users of the data should acknowledge the original authors of the
structural data.