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Information card for entry 2230394
Preview
| Coordinates | 2230394.cif |
|---|---|
| Structure factors | 2230394.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6- methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate |
|---|---|
| Formula | C32 H32 Dy2 N10 O18 S2 |
| Calculated formula | C32 H32 Dy2 N10 O18 S2 |
| SMILES | C[O]1c2cccc3c2[O]2[Dy]4567([N](=C3)Nc3[n]4c4ccccc4s3)([O](C)c3cccc4c3[O]5[Dy]35812([N](=C4)Nc1[n]3c2ccccc2s1)(ON(=[O]5)=O)ON(=O)=[O]8)(ON(=[O]6)=O)ON(=O)=[O]7.OC.OC |
| Title of publication | Bis(μ-2-{[2-(1,3-benzothiazol-2-yl)hydrazinylidene]methyl}-6-methoxyphenolato)bis[dinitratodysprosium(III)] methanol disolvate |
| Authors of publication | Xu, Xuebin; Ding, Shuai; Shen, Si; Tang, Jinkui; Liu, Zhiliang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m796 - m797 |
| a | 9.6191 ± 0.0006 Å |
| b | 10.1002 ± 0.0007 Å |
| c | 11.6151 ± 0.0008 Å |
| α | 112.045 ± 0.001° |
| β | 105.065 ± 0.001° |
| γ | 93.154 ± 0.001° |
| Cell volume | 995.23 ± 0.12 Å3 |
| Cell temperature | 159 ± 2 K |
| Ambient diffraction temperature | 159 ± 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 | 0.0295 |
| Residual factor for significantly intense reflections | 0.0249 |
| Weighted residual factors for significantly intense reflections | 0.0551 |
| Weighted residual factors for all reflections included in the refinement | 0.0574 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.069 |
| 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. |
2230394.cif 2230394.hkl |
| 181225 | 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 2/23/03. |
2230394.cif 2230394.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. |
2230394.cif 2230394.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230394.cif 2230394.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. | 2230394.cif 2230394.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230394.cif 2230394.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230394.cif 2230394.hkl |
| 22374 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230394 via cif-deposit CGI script. |
2230394.cif |
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Users of the data should acknowledge the original authors of the
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