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Information card for entry 2230119
Preview
| Coordinates | 2230119.cif |
|---|---|
| Structure factors | 2230119.hkl |
| Original IUCr paper | HTML |
| External links | PubChem |
| Chemical name | Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'- [3-(dimethylamino)propyl]oxamidato(3-)}bis(perchlorato- κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'- tetramethylethylenediamine)tetracopper(II) |
|---|---|
| Formula | C40 H62 Cl4 Cu4 N10 O16 |
| Calculated formula | C40 H62 Cl4 Cu4 N10 O16 |
| Title of publication | Bis{μ~3~-<i>cis</i>-<i>N</i>-(2-carboxylato-5-chlorophenyl)-<i>N</i>'-[3-(dimethylamino)propyl]oxamidato(3{-})}bis(perchlorato-κ<i>O</i>)bis(<i>N</i>,<i>N</i>,<i>N</i>',<i>N</i>'-tetramethylethylenediamine)tetracopper(II) |
| Authors of publication | Sun, Yanlong; Xu, Xuelian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m645 - m646 |
| a | 12.575 ± 0.0013 Å |
| b | 16.4137 ± 0.0019 Å |
| c | 14.108 ± 0.0015 Å |
| α | 90° |
| β | 113.988 ± 0.002° |
| γ | 90° |
| Cell volume | 2660.4 ± 0.5 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 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 | 0.0734 |
| Residual factor for significantly intense reflections | 0.0444 |
| Weighted residual factors for significantly intense reflections | 0.1095 |
| Weighted residual factors for all reflections included in the refinement | 0.1326 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.004 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
2230119.cif 2230119.hkl |
| 181223 | 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 2/23/01. |
2230119.cif 2230119.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. |
2230119.cif 2230119.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230119.cif 2230119.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. | 2230119.cif 2230119.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230119.cif 2230119.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230119.cif 2230119.hkl |
| 20189 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230119 via cif-deposit CGI script. |
2230119.cif |
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Users of the data should acknowledge the original authors of the
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