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Information card for entry 8102361
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| Coordinates | 8102361.cif |
|---|---|
| External links | PubChem |
| Formula | C18 H18 N4 O8 S2 Zn |
|---|---|
| Calculated formula | C18 H18 N4 O8 S2 Zn |
| Title of publication | Crystal structure of tetraaqua-bis(2-(4-pyridyl)thiazole-4-carboxylate)zinc(II), Zn(H2O)4(C9H5O2N2S)2 |
| Authors of publication | Jian-Hua Qin; Ge Song; Wei Li |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2009 |
| Journal volume | 224 |
| Journal issue | 1 |
| Pages of publication | 151 |
| a | 6.302 ± 0.013 Å |
| b | 6.962 ± 0.015 Å |
| c | 12.71 ± 0.03 Å |
| α | 103.22 ± 0.02° |
| β | 95.21 ± 0.02° |
| γ | 106.72 ± 0.02° |
| Cell volume | 513 ± 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 | 0.1018 |
| Residual factor for significantly intense reflections | 0.0954 |
| Weighted residual factors for significantly intense reflections | 0.2521 |
| Weighted residual factors for all reflections included in the refinement | 0.262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.191 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301880 (current) | 2025-08-23 | Add cross-references to PubChem compounds in COD range 8/ Each referenced PubChem compound corresponds to the full crystal structure. |
8102361.cif |
| 211175 | 2018-09-26 | cif/ Removing _chemical_name_systematic and _chemical_name_common data items with placeholder values from 513 entries in range 8. |
8102361.cif |
| 176728 | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8102361.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102361.cif |
| 13100 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102361 via cif-deposit CGI script. |
8102361.cif |
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Users of the data should acknowledge the original authors of the
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