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Information card for entry 2019702
Preview
| Coordinates | 2019702.cif |
|---|---|
| Structure factors | 2019702.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[(μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>')(μ~4~-sulfato-κ^4^<i>O</i>:<i>O</i>':<i>O</i>'':<i>O</i>'')copper(II)], |
|---|---|
| Formula | C2 H5 Cu N O6 S |
| Calculated formula | C2 H5 Cu N O6 S |
| Title of publication | <i>In situ</i> single-crystal to single-crystal (SCSC) transformation of the one-dimensional polymer <i>catena</i>-poly[[diaqua(sulfato)copper(II)]-μ~2~-glycine] into the two-dimensional polymer poly[μ~2~-glycine-μ~4~-sulfato-copper(II)] |
| Authors of publication | Stoeckli-Evans, Helen; Sereda, Olha; Neels, Antonia; Oguey, Sebastien; Ionescu, Catherine; Jacquier, Yvan |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 11 |
| Pages of publication | 1057 - 1063 |
| a | 4.8131 ± 0.0008 Å |
| b | 7.787 ± 0.001 Å |
| c | 7.9262 ± 0.0011 Å |
| α | 90° |
| β | 107.729 ± 0.012° |
| γ | 90° |
| Cell volume | 282.96 ± 0.07 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.0693 |
| Residual factor for significantly intense reflections | 0.0559 |
| Weighted residual factors for significantly intense reflections | 0.1263 |
| Weighted residual factors for all reflections included in the refinement | 0.1317 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181867 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/97. |
2019702.cif 2019702.hkl |
| 180865 | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/97. |
2019702.cif 2019702.hkl |
| 176760 | 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. |
2019702.cif 2019702.hkl |
| 128090 | 2014-12-04 | cif/ Updating files of 2019701, 2019702 Original log message: Adding full bibliography for 2019701--2019702.cif. |
2019702.cif 2019702.hkl |
| 125430 | 2014-10-16 | cif/ hkl/ Adding structures of 2019701, 2019702 via cif-deposit CGI script. |
2019702.cif 2019702.hkl |
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Users of the data should acknowledge the original authors of the
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