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Information card for entry 2017856
Preview
| Coordinates | 2017856.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4- diyl)bis(ethanesulfonato)]disilver(I)] |
|---|---|
| Formula | C20 H68 Ag2 N10 O20 S2 |
| Calculated formula | C20 H68 Ag2 N10 O20 S2 |
| Title of publication | Poly[diaquabis(μ~3~-hexamethylenetetramine)[μ~2~-2,2'-(piperazine-1,4-diyl)bis(ethanesulfonato)]disilver(I)]: a three-dimensional pillared-layer framework encapsulating a water chain of (H~2~O)~12~ clusters |
| Authors of publication | Guo, Peng; Wang, Jing; Pan, Dao-cheng; Xu, Guo-Hai |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 9 |
| Pages of publication | m266 - m268 |
| a | 6.3902 ± 0.0003 Å |
| b | 31.1619 ± 0.0014 Å |
| c | 10.5428 ± 0.0005 Å |
| α | 90° |
| β | 93.77 ± 0.001° |
| γ | 90° |
| Cell volume | 2094.85 ± 0.17 Å3 |
| Cell temperature | 165 ± 2 K |
| Ambient diffraction temperature | 165 ± 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 | 0.0413 |
| Residual factor for significantly intense reflections | 0.0297 |
| Weighted residual factors for significantly intense reflections | 0.0787 |
| Weighted residual factors for all reflections included in the refinement | 0.0936 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.135 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176760 (current) | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2017856.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2017856.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2017856.cif |
| 4164 | 2010-12-16 | ../uploads/cif-deposit/cod/cif Adding structures of 2017856 via cif-deposit CGI script. |
2017856.cif |
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