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Information card for entry 2230208
Preview
| Coordinates | 2230208.cif |
|---|---|
| Structure factors | 2230208.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3- diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitrato samarium(III)zinc(II) methanol disolvate |
|---|---|
| Formula | C23 H36 N5 O17 Sm Zn |
| Calculated formula | C23 H36 N5 O17 Sm Zn |
| SMILES | [Sm]123456([O](c7c8[O]2[Zn]29([O]3c3c([O]1C)cccc3C=[N]2CCC[N]9=Cc8ccc7)([OH]C)[OH]C)C)(ON(=O)=[O]4)(ON(=[O]5)=O)ON(=[O]6)=O.OC.CO |
| Title of publication | {μ-6,6'-Dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethanylylidene)]diphenolato}dimethanoltrinitratosamarium(III)zinc(II) methanol disolvate |
| Authors of publication | Liu, Fei; Zhang, Fang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m525 |
| a | 13.105 ± 0.0008 Å |
| b | 11.119 ± 0.0007 Å |
| c | 22.324 ± 0.0013 Å |
| α | 90° |
| β | 90.999 ± 0.001° |
| γ | 90° |
| Cell volume | 3252.4 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.0835 |
| Residual factor for significantly intense reflections | 0.0701 |
| Weighted residual factors for significantly intense reflections | 0.1297 |
| Weighted residual factors for all reflections included in the refinement | 0.133 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.459 |
| 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. |
2230208.cif 2230208.hkl |
| 181224 | 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 2/23/02. |
2230208.cif 2230208.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. |
2230208.cif 2230208.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230208.cif 2230208.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. | 2230208.cif 2230208.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230208.cif 2230208.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230208.cif 2230208.hkl |
| 20289 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230208 via cif-deposit CGI script. |
2230208.cif |
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Users of the data should acknowledge the original authors of the
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