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Information card for entry 2235297
Preview
| Coordinates | 2235297.cif |
|---|---|
| Structure factors | 2235297.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | (μ-Naphthalene-1,5-disulfonato- κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato- κ^2^<i>N</i>,<i>O</i>)copper(II)] |
|---|---|
| Formula | C14 H26 Cu2 N2 O16 S2 |
| Calculated formula | C14 H26 Cu2 N2 O16 S2 |
| SMILES | C1(=O)C[NH2][Cu](O1)([OH2])([OH2])[OH2].c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].C1(=O)C[NH2][Cu](O1)([OH2])([OH2])[OH2] |
| Title of publication | (μ-Naphthalene-1,5-disulfonato-κ^2^<i>O</i>^1^:<i>O</i>^5^)bis[triaqua(glycinato-κ^2^<i>N</i>,<i>O</i>)copper(II)] |
| Authors of publication | Gao, Shan; Ng, Seik Weng |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 6 |
| Pages of publication | m730 |
| a | 5.802 ± 0.003 Å |
| b | 11.341 ± 0.006 Å |
| c | 17.613 ± 0.008 Å |
| α | 90° |
| β | 99.793 ± 0.018° |
| γ | 90° |
| Cell volume | 1142.1 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0721 |
| Weighted residual factors for all reflections included in the refinement | 0.0729 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.074 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301806 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/23 Each referenced PubChem compound corresponds to the full crystal structure. |
2235297.cif 2235297.hkl |
| 181274 | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/52. |
2235297.cif 2235297.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2235297.cif 2235297.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2235297.cif 2235297.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. | 2235297.cif 2235297.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2235297.cif 2235297.hkl |
| 61983 | 2012-07-05 | cif/ Adding structures of 2235297 via cif-deposit CGI script. |
2235297.cif |
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Users of the data should acknowledge the original authors of the
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