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Information card for entry 2226010
Preview
| Coordinates | 2226010.cif |
|---|---|
| Structure factors | 2226010.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Hexaaquamanganese(II) bis{[<i>N</i>-(3-methoxy-2-oxidobenzylidene)glycylglycinato]copper(II)} hexahydrate |
|---|---|
| Formula | C24 H46 Cu2 Mn N4 O22 |
| Calculated formula | C24 H46 Cu2 Mn N4 O22 |
| SMILES | c12c(cccc1C=[N]1CC(=O)N3CC(=O)O[Cu]13O2)OC.[OH2][Mn]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.c12O[Cu]34[N](=Cc2cccc1OC)CC(=O)N3CC(=O)O4.O.O.O |
| Title of publication | Hexaaquamanganese(II) bis{[<i>N</i>-(3-methoxy-2-oxidobenzylidene)glycylglycinato]copper(II)} hexahydrate |
| Authors of publication | Lei, Long-Wei; Jiang, Yin-Zhi; Zou, Yang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 5 |
| Pages of publication | m520 - m521 |
| a | 6.712 ± 0.001 Å |
| b | 11.762 ± 0.002 Å |
| c | 12.092 ± 0.002 Å |
| α | 76.51 ± 0.01° |
| β | 83.9 ± 0.01° |
| γ | 80.37 ± 0.01° |
| Cell volume | 912.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 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 | 0.112 |
| Residual factor for significantly intense reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.1183 |
| Weighted residual factors for all reflections included in the refinement | 0.1291 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.79 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301805 (current) | 2025-08-19 | Add cross-references to PubChem compounds in COD range 2/22 Each referenced PubChem compound corresponds to the full crystal structure. |
2226010.cif 2226010.hkl |
| 181181 | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/60. |
2226010.cif 2226010.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2226010.cif 2226010.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2226010.cif 2226010.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. | 2226010.cif 2226010.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2226010.cif 2226010.hkl |
| 1208 | 2010-06-08 | hkl/2/ Adding Fobs data for the most recent Acta Cryst. deposition. |
2226010.cif 2226010.hkl |
| 1197 | 2010-06-06 | cif/2/ Adding data from the Acta-Cryst-E-2010_05 processing directory. |
2226010.cif |
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Users of the data should acknowledge the original authors of the
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