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Information card for entry 4085675
Preview
| Coordinates | 4085675.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H46 Au Cl5 F P3 Sn |
|---|---|
| Calculated formula | C56 H46 Au Cl5 F P3 Sn |
| SMILES | [Sn](F)(c1ccccc1[P]([Au]12Cl)(c3ccccc3)c3ccccc3)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl |
| Title of publication | Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach |
| Authors of publication | Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 8 |
| Pages of publication | 1440 |
| a | 12.2524 ± 0.0001 Å |
| b | 12.4422 ± 0.0001 Å |
| c | 19.797 ± 0.0003 Å |
| α | 76.41 ± 0.008° |
| β | 77.176 ± 0.007° |
| γ | 63.159 ± 0.006° |
| Cell volume | 2593.98 ± 0.16 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 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 | 0.0307 |
| Residual factor for significantly intense reflections | 0.0291 |
| Weighted residual factors for significantly intense reflections | 0.065 |
| Weighted residual factors for all reflections included in the refinement | 0.0657 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.106 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178745 (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 4/08/56. |
4085675.cif |
| 138305 | 2015-06-05 | cif/ Updating files of 4085667, 4085668, 4085669, 4085670, 4085671, 4085672, 4085673, 4085674, 4085675 Original log message: Adding full bibliography for 4085667--4085675.cif. |
4085675.cif |
| 135157 | 2015-04-09 | cif/ Adding structures of 4085667, 4085668, 4085669, 4085670, 4085671, 4085672, 4085673, 4085674, 4085675 via cif-deposit CGI script. |
4085675.cif |
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Users of the data should acknowledge the original authors of the
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