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Information card for entry 2228362
Preview
| Coordinates | 2228362.cif |
|---|---|
| Structure factors | 2228362.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[aquatris(μ~3~-hexamethylenetetramine- κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')tris(<i>p</i>-toluenesulfonato- κ<i>O</i>)trisilver(I)] trihydrate] |
|---|---|
| Formula | C39 H65 Ag3 N12 O13 S3 |
| Calculated formula | C39 H65 Ag3 N12 O13 S3 |
| Title of publication | Poly[[aquatris(μ~3~-hexamethylenetetramine-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'')tris(<i>p</i>-toluenesulfonato-κ<i>O</i>)trisilver(I)] trihydrate] |
| Authors of publication | Wu, Hua; Shang, Meng-Xiang; ShangGuan, Shao-Ping |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1665 - m1666 |
| a | 17.3181 ± 0.0005 Å |
| b | 10.7028 ± 0.0003 Å |
| c | 26.911 ± 0.0011 Å |
| α | 90° |
| β | 95.657 ± 0.003° |
| γ | 90° |
| Cell volume | 4963.7 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.0594 |
| Residual factor for significantly intense reflections | 0.0383 |
| Weighted residual factors for significantly intense reflections | 0.093 |
| Weighted residual factors for all reflections included in the refinement | 0.0972 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.99 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228362.cif 2228362.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228362.cif 2228362.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228362.cif 2228362.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. | 2228362.cif 2228362.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228362.cif 2228362.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228362.cif 2228362.hkl |
| 5780 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228362, 2228363, 2228364, 2228365, 2228366, 2228367, 2228368, 2228369, 2228370, 2228371 via cif-deposit CGI script. |
2228362.cif |
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Users of the data should acknowledge the original authors of the
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