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Information card for entry 2229168
Preview
| Coordinates | 2229168.cif |
|---|---|
| Structure factors | 2229168.hkl |
| Original IUCr paper | HTML |
| Chemical name | Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato- κ<i>O</i>)zinc(II) |
|---|---|
| Formula | C12 H14 N2 O7 S Zn |
| Calculated formula | C12 H14 N2 O7 S Zn |
| SMILES | [Zn]1(OS(=O)(=O)[O-])([OH2])([OH2])([OH2])[n]2cccc3ccc4ccc[n]1c4c23 |
| Title of publication | Triaqua(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')(sulfato-κ<i>O</i>)zinc(II) |
| Authors of publication | Liu, Hong; Qin, Hui; Zhang, Yun-Jie; Yang, Hong-Wei; Zhang, Jian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 2 |
| Pages of publication | m280 - m281 |
| a | 8.0011 ± 0.0004 Å |
| b | 9.6006 ± 0.0004 Å |
| c | 19.1606 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1471.83 ± 0.12 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0232 |
| Residual factor for significantly intense reflections | 0.0213 |
| Weighted residual factors for significantly intense reflections | 0.0492 |
| Weighted residual factors for all reflections included in the refinement | 0.05 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.005 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181212 (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 2/22/91. |
2229168.cif 2229168.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. |
2229168.cif 2229168.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2229168.cif 2229168.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. | 2229168.cif 2229168.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2229168.cif 2229168.hkl |
| 14261 | 2011-03-09 | Adding the Fobs data for the recenty deposited IUCr structrures. | 2229168.cif 2229168.hkl |
| 12225 | 2011-03-05 | ../uploads/cif-deposit/cod/cif Adding structures of 2229168 via cif-deposit CGI script. |
2229168.cif |
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Users of the data should acknowledge the original authors of the
structural data.