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Information card for entry 2019701
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| Coordinates | 2019701.cif |
|---|---|
| Structure factors | 2019701.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[diaqua(sulfato-κ<i>O</i>)copper(II)]-μ~2~-glycine-κ^2^<i>O</i>:<i>O</i>'] |
|---|---|
| Formula | C2 H9 Cu N O8 S |
| Calculated formula | C2 H9 Cu N O8 S |
| SMILES | [Cu]([OH2])([OH2])(OC(=O)C[NH3+])(OS(=O)(=O)[O-])[O]=C(O[Cu]([OH2])([OH2])OS(=O)(=O)[O-])C[NH3+] |
| 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 | 7.6347 ± 0.0008 Å |
| b | 12.314 ± 0.0009 Å |
| c | 8.3675 ± 0.0008 Å |
| α | 90° |
| β | 90.855 ± 0.008° |
| γ | 90° |
| Cell volume | 786.57 ± 0.13 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0261 |
| Residual factor for significantly intense reflections | 0.0227 |
| Weighted residual factors for significantly intense reflections | 0.0541 |
| Weighted residual factors for all reflections included in the refinement | 0.0549 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.13 |
| 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. |
2019701.cif 2019701.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. |
2019701.cif 2019701.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. |
2019701.cif 2019701.hkl |
| 128090 | 2014-12-04 | cif/ Updating files of 2019701, 2019702 Original log message: Adding full bibliography for 2019701--2019702.cif. |
2019701.cif 2019701.hkl |
| 125430 | 2014-10-16 | cif/ hkl/ Adding structures of 2019701, 2019702 via cif-deposit CGI script. |
2019701.cif 2019701.hkl |
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