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Information card for entry 2019380
Preview
Coordinates | 2019380.cif |
---|---|
Structure factors | 2019380.hkl |
Original IUCr paper | HTML |
Chemical name | Poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate] |
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Formula | C4 H7 Cd N3 O6 S |
Calculated formula | C4 H7 Cd N3 O6 S |
Title of publication | The coordination polymer poly[[aqua(μ-oxalato)[1<i>H</i>-1,2,4-triazole-5(4<i>H</i>)-thione]cadmium(II)] monohydrate] |
Authors of publication | Liang, Qian; Wang, Yu-Lin; Zhao, Yan; Cao, Gao-Juan |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2014 |
Journal volume | 70 |
Journal issue | 2 |
Pages of publication | 182 - 184 |
a | 6.1241 ± 0.0012 Å |
b | 8.4939 ± 0.0017 Å |
c | 10.224 ± 0.002 Å |
α | 67.94 ± 0.03° |
β | 80.46 ± 0.03° |
γ | 77.48 ± 0.03° |
Cell volume | 479.1 ± 0.2 Å3 |
Cell temperature | 298 ± 2 K |
Ambient diffraction temperature | 298 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0239 |
Residual factor for significantly intense reflections | 0.0231 |
Weighted residual factors for significantly intense reflections | 0.0562 |
Weighted residual factors for all reflections included in the refinement | 0.0609 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.084 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
181863 (current) | 2016-04-06 | hkl/2/01/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/01/93. |
2019380.cif 2019380.hkl |
180861 | 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 2/01/93. |
2019380.cif 2019380.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. |
2019380.cif 2019380.hkl |
104731 | 2014-03-11 | cif/ hkl/ Adding structures of 2019380 via cif-deposit CGI script. |
2019380.cif 2019380.hkl |
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Users of the data should acknowledge the original authors of the
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