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Information card for entry 7022139
Preview
| Coordinates | 7022139.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C75 H62 Ag4 N8 O P4 S4 |
|---|---|
| Calculated formula | C75 H62 Ag4 N8 O P4 S4 |
| SMILES | [Ag]12([P](c3ncccc3)(c3ccccc3)c3ccccc3)[N]#C[S]3[Ag]4([P](c5ccccn5)(c5ccccc5)c5ccccc5)[S]5[Ag]3([P](c3ccccc3)(c3ccccn3)c3ccccc3)[N]#C[S]2[Ag]([P](c2ccccc2)(c2ncccc2)c2ccccc2)([N]#C5)[S]1C#[N]4.CC(=O)C |
| Title of publication | Oligo-nuclear silver thiocyanate complexes with monodentate tertiary phosphine ligands, including novel 'cubane' and 'step' tetramer forms of AgSCN : PR3 (1:1)4. |
| Authors of publication | Bowmaker, Graham A.; Di Nicola, Corrado; Effendy,; Hanna, John V.; Healy, Peter C.; King, Scott P.; Marchetti, Fabio; Pettinari, Claudio; Robinson, Ward T.; Skelton, Brian W.; Sobolev, Alexandre N.; Tăbăcaru, Aurel; White, Allan H. |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 1 |
| Pages of publication | 277 - 291 |
| a | 16.93 ± 0.005 Å |
| b | 18.45 ± 0.005 Å |
| c | 23.853 ± 0.005 Å |
| α | 90° |
| β | 105.522 ± 0.005° |
| γ | 90° |
| Cell volume | 7179 ± 3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.1429 |
| Residual factor for significantly intense reflections | 0.0614 |
| Weighted residual factors for significantly intense reflections | 0.1434 |
| Weighted residual factors for all reflections included in the refinement | 0.1733 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.87 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7022139.cif |
| 89989 | 2013-11-17 | cif/ Adding structures of 7022139, 7022140, 7022141, 7022142, 7022143, 7022144, 7022145, 7022146, 7022147 via cif-deposit CGI script. |
7022139.cif |
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