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Information card for entry 4308156
Preview
| Coordinates | 4308156.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C80 H114 Au2 P2 Pd S4 |
|---|---|
| Calculated formula | C80 H114 Au2 P2 Pd S4 |
| SMILES | c1c(ccc2c3ccc(cc3C(=C3S[Pd]4([S]3[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)SC(=C3c5cc(ccc5c5ccc(cc35)C(C)(C)C)C(C)(C)C)[S]4[Au][P](C3CCCCC3)(C3CCCCC3)C3CCCCC3)c12)C(C)(C)C)C(C)(C)C |
| Title of publication | Synthesis, Structure, and Luminescence of Di- and Trinuclear Palladium/Gold and Platinum/Gold Complexes with (2,7-Di-tert-butylfluoren-9-ylidene)methanedithiolate,1 |
| Authors of publication | José Vicente; Pablo González-Herrero; María Pérez-Cadenas; Peter G. Jones; Delia Bautista |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2007 |
| Journal volume | 46 |
| Pages of publication | 4718 - 4732 |
| a | 9.5339 ± 0.0004 Å |
| b | 15.1567 ± 0.0007 Å |
| c | 26.6961 ± 0.0012 Å |
| α | 90° |
| β | 92.012 ± 0.002° |
| γ | 90° |
| Cell volume | 3855.3 ± 0.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0267 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0503 |
| Weighted residual factors for all reflections included in the refinement | 0.0518 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179119 (current) | 2016-03-22 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/81. |
4308156.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4308156.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4308156.cif |
| 1194 | 2010-06-06 | cif/4/ Adding data from Inorg-Chem-2007_01-13/ processing directory. |
4308156.cif |
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