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Information card for entry 7022145
Preview
| Coordinates | 7022145.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 Ag2 N2 P2 S2 |
|---|---|
| Calculated formula | C44 H42 Ag2 N2 P2 S2 |
| SMILES | [P]([Ag]1[N]#CS[Ag]([N]#CS1)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)(c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)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 | 11.37 ± 0.011 Å |
| b | 11.025 ± 0.008 Å |
| c | 10.3 ± 0.011 Å |
| α | 111.52 ± 0.08° |
| β | 98.98 ± 0.08° |
| γ | 115.77 ± 0.07° |
| Cell volume | 1002 ± 2 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0365 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for significantly intense reflections | 0.0692 |
| Weighted residual factors for all reflections included in the refinement | 0.075 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.002 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179926 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21. |
7022145.cif |
| 89989 | 2013-11-17 | cif/ Adding structures of 7022139, 7022140, 7022141, 7022142, 7022143, 7022144, 7022145, 7022146, 7022147 via cif-deposit CGI script. |
7022145.cif |
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Users of the data should acknowledge the original authors of the
structural data.