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Information card for entry 4085069
Preview
| Coordinates | 4085069.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Compound 6.3(C6H6) |
|---|---|
| Formula | C101 H133 Au N4 O2 |
| Calculated formula | C101 H131 Au N4 O2 |
| SMILES | [Au](=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(C)C.C(=C1C=C(C(=O)C(=C1)C(C)(C)C)C(C)(C)C)c1cc(c([O-])c(c1)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1 |
| Title of publication | Reactivity of Gold Hydrides: O2 Insertion into the Au-H Bond. |
| Authors of publication | Roşca, Dragoş-Adrian; Fernandez-Cestau, Julio; Hughes, David L.; Bochmann, Manfred |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Journal volume | 34 |
| Journal issue | 11 |
| Pages of publication | 2098 - 2101 |
| a | 15.1887 ± 0.0011 Å |
| b | 24.4609 ± 0.0017 Å |
| c | 24.3362 ± 0.0017 Å |
| α | 90° |
| β | 94.2705 ± 0.0011° |
| γ | 90° |
| Cell volume | 9016.5 ± 1.1 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.157 |
| Residual factor for significantly intense reflections | 0.1084 |
| Weighted residual factors for significantly intense reflections | 0.2919 |
| Weighted residual factors for all reflections included in the refinement | 0.3103 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.095 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178739 (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 4/08/50. |
4085069.cif |
| 154754 | 2015-09-06 | cif/ Updating files of 4085067, 4085068, 4085069 Original log message: Adding full bibliography for 4085067--4085069.cif. |
4085069.cif |
| 128978 | 2014-12-21 | cif/ Adding structures of 4085067, 4085068, 4085069 via cif-deposit CGI script. |
4085069.cif |
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