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Information card for entry 4341862
Preview
| Coordinates | 4341862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H96 Au4 F12 O6 P8 |
|---|---|
| Calculated formula | C94 H96 Au4 F12 O6 P8 |
| SMILES | C(#Cc1ccc(cc1)OC)[Au][P]1(c2ccccc2)C[P](c2ccccc2)(c2ccccc2)[Au][P](c2ccccc2)(c2ccccc2)C[P](c2ccccc2)([Au]C#Cc2ccc(cc2)OC)C[P](c2ccccc2)(c2ccccc2)[Au][P](C1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.CC(=O)C.[P](F)(F)(F)(F)(F)[F-].O=C(C)C.O=C(C)C |
| Title of publication | Tetragold(I) Complexes: Solution Isomerization and Tunable Solid-State Luminescence. |
| Authors of publication | Dau, Thuy Minh; Chen, Yi-An; Karttunen, Antti J.; Grachova, Elena V.; Tunik, Sergey P.; Lin, Ke-Ting; Hung, Wen-Yi; Chou, Pi-Tai; Pakkanen, Tapani A.; Koshevoy, Igor O. |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Pages of publication | 141201154356007 |
| a | 17.4943 ± 0.0002 Å |
| b | 13.6657 ± 0.0002 Å |
| c | 21.3819 ± 0.0003 Å |
| α | 90° |
| β | 112.526 ± 0.001° |
| γ | 90° |
| Cell volume | 4721.81 ± 0.12 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0247 |
| Residual factor for significantly intense reflections | 0.0195 |
| Weighted residual factors for significantly intense reflections | 0.0436 |
| Weighted residual factors for all reflections included in the refinement | 0.0453 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.009 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179521 (current) | 2016-03-24 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/18. |
4341862.cif |
| 128257 | 2014-12-06 | cif/ Adding structures of 4341859, 4341860, 4341861, 4341862, 4341863, 4341864, 4341865, 4341866 via cif-deposit CGI script. |
4341862.cif |
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Users of the data should acknowledge the original authors of the
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