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Information card for entry 8102196
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| Coordinates | 8102196.cif |
|---|---|
| External links | PubChem |
| Chemical name | triaqua-cis-bis((2-carboxybenzene)sulfonylglycinato)zinc(II) |
|---|---|
| Formula | C18 H22 N2 O15 S2 Zn |
| Calculated formula | C18 H22 N2 O15 S2 Zn |
| Title of publication | Crystal structure of triaqua-cis-bis((2-carboxybenzene)sulfonylglycinato) zinc(II), Zn(H~2~O)~3~(C~9~H~8~NO~6~S)~2~ |
| Authors of publication | Ma, Lu-Fang; Wu, Ye; Lu, Dan-Hua |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2007 |
| Journal volume | 222 |
| Journal issue | 4 |
| Pages of publication | 435 - 436 |
| a | 11.0915 ± 0.0009 Å |
| b | 42.064 ± 0.004 Å |
| c | 5.0972 ± 0.0004 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2378.1 ± 0.4 Å3 |
| Cell temperature | 292 ± 2 K |
| Ambient diffraction temperature | 292 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 52 |
| Hermann-Mauguin space group symbol | P n n a |
| Hall space group symbol | -P 2a 2bc |
| Residual factor for all reflections | 0.0348 |
| Residual factor for significantly intense reflections | 0.0298 |
| Weighted residual factors for significantly intense reflections | 0.0845 |
| Weighted residual factors for all reflections included in the refinement | 0.0883 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| 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. |
8102196.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. |
8102196.cif |
| 108390 | 2014-03-31 | cif/8/ (antanas@lokys.ibt.lt) Adding and updating bibliographic information: volume, authors, issue, first page, last page. |
8102196.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8102196.cif |
| 12935 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8102196 via cif-deposit CGI script. |
8102196.cif |
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Users of the data should acknowledge the original authors of the
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