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Information card for entry 2019845
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| Coordinates | 2019845.cif |
|---|---|
| Structure factors | 2019845.hkl |
| Original IUCr paper | HTML |
| Chemical name | Diaqua(μ~2~-triethylenetetraminehexaacetato)dizinc tetrahydrate |
|---|---|
| Formula | C18 H38 N4 O18 Zn2 |
| Calculated formula | C18 H38 N4 O18 Zn2 |
| Title of publication | Crystal structure of diaqua(μ2-triethylenetetraminehexaacetato)dizinc tetrahydrate |
| Authors of publication | Liu, Huan; Lu, Li-Ping |
| Journal of publication | Acta Crystallographica Section E Crystallographic Communications |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 3 |
| Pages of publication | m55 |
| a | 7.133 ± 0.0014 Å |
| b | 8.7013 ± 0.0016 Å |
| c | 11.979 ± 0.002 Å |
| α | 103.969 ± 0.002° |
| β | 101.052 ± 0.002° |
| γ | 100.882 ± 0.003° |
| Cell volume | 686.2 ± 0.2 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0389 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.087 |
| Weighted residual factors for all reflections included in the refinement | 0.0888 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.993 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181868 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/98. |
2019845.cif 2019845.hkl |
| 180866 | 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 2/01/98. |
2019845.cif 2019845.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. |
2019845.cif 2019845.hkl |
| 131553 | 2015-02-08 | cif/ hkl/ Adding structures of 2019845 via cif-deposit CGI script. |
2019845.cif 2019845.hkl |
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Users of the data should acknowledge the original authors of the
structural data.