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Information card for entry 7022147
Preview
| Coordinates | 7022147.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H42 Ag2 N2 P2 S2 |
|---|---|
| Calculated formula | C44 H42 Ag2 N2 P2 S2 |
| SMILES | [Ag]1(SC#[N][Ag](SC#[N]1)[P](c1c(cccc1)C)(c1c(cccc1)C)c1c(cccc1)C)[P](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 | 9.3067 ± 0.0004 Å |
| b | 11.2705 ± 0.0006 Å |
| c | 19.6439 ± 0.001 Å |
| α | 81.971 ± 0.004° |
| β | 87.408 ± 0.004° |
| γ | 78.2 ± 0.004° |
| Cell volume | 1996.86 ± 0.17 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 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 | 0.0917 |
| Residual factor for significantly intense reflections | 0.039 |
| Weighted residual factors for significantly intense reflections | 0.0641 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.807 |
| 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. |
7022147.cif |
| 89989 | 2013-11-17 | cif/ Adding structures of 7022139, 7022140, 7022141, 7022142, 7022143, 7022144, 7022145, 7022146, 7022147 via cif-deposit CGI script. |
7022147.cif |
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Users of the data should acknowledge the original authors of the
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