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Information card for entry 2232449
Preview
| Coordinates | 2232449.cif |
|---|---|
| Structure factors | 2232449.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']- di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>-disilver(I)] |
|---|---|
| Formula | C56 H52 Ag2 N2 P4 S2 |
| Calculated formula | C56 H52 Ag2 N2 P4 S2 |
| SMILES | [Ag]12([P](CCC[P]([Ag]3([P](CCCP(c4ccccc4)c4ccccc4)(c4ccccc4)c4ccccc4)SC#[N][Ag]([P](CCC[P]([Ag]([N]#CS1)SC#[N]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)([P](CCCP(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)SC#[N]3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1) |
| Title of publication | Poly[bis[μ-1,3-bis(diphenylphosphanyl)propane-κ^2^<i>P</i>:<i>P</i>']-di-μ-thiocyanato-κ^2^<i>S</i>:<i>N</i>;κ^2^<i>N</i>:<i>S</i>-disilver(I)] |
| Authors of publication | Cui, Li-Na; Jiang, Yu-Han; Zhou, Li-Li; Jin, Qiong-Hua; Zhang, Cun-Lin |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1529 |
| a | 7.5478 ± 0.0009 Å |
| b | 15.8275 ± 0.0017 Å |
| c | 22.229 ± 0.003 Å |
| α | 90° |
| β | 99.727 ± 0.001° |
| γ | 90° |
| Cell volume | 2617.4 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.071 |
| Residual factor for significantly intense reflections | 0.038 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0789 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181246 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/24. |
2232449.cif 2232449.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2232449.cif 2232449.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232449.cif 2232449.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2232449.cif 2232449.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232449.cif 2232449.hkl |
| 31108 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232449 via cif-deposit CGI script. |
2232449.cif |
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Users of the data should acknowledge the original authors of the
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