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Information card for entry 4121077
Preview
| Coordinates | 4121077.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C130 H138 Au8 N2 O12 P8 |
|---|---|
| Calculated formula | C130 H138 Au8 N2 O12 P8 |
| SMILES | CO.CO.CO.[P]1([Au]2([Au]345[P](c6ccccc6)(c6ccccc6)CCC[P]([Au]678[Au]9%103([P](c3ccccc3)(CCC1)c1ccccc1)[Au]124[P](c2ccccc2)(c2ccccc2)CCC[P]([Au]279[Au]6([P](c3ccccc3)(c3ccccc3)CCC[P]([Au]58%1012)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C#Cc1ccccc1)(c1ccccc1)c1ccccc1.N(=O)(=O)[O-].CO.CO.CO.N(=O)(=O)[O-] |
| Title of publication | Protonation-Induced Chromism of Pyridylethynyl-Appended [core+exo]-Type Au8Clusters. Resonance-Coupled Electronic Perturbation through π-Conjugated Group |
| Authors of publication | Naoki Kobayashi; Yutaro Kamei; Yukatsu Shichibu; Katsuaki Konishi |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2013 |
| Journal volume | 135 |
| Pages of publication | 16078 - 16081 |
| a | 31.2188 ± 0.0014 Å |
| b | 17.1001 ± 0.0007 Å |
| c | 23.3745 ± 0.001 Å |
| α | 90° |
| β | 90.371 ± 0.001° |
| γ | 90° |
| Cell volume | 12478.1 ± 0.9 Å3 |
| Cell temperature | 90 K |
| Ambient diffraction temperature | 90 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0459 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0881 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.141 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179012 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/10. |
4121077.cif |
| 107251 | 2014-03-18 | cif/ Adding structures of 4121077 via cif-deposit CGI script. |
4121077.cif |
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Users of the data should acknowledge the original authors of the
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