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Information card for entry 2233123
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| Coordinates | 2233123.cif |
|---|---|
| Structure factors | 2233123.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate |
|---|---|
| Formula | C10 H16 Cu K3 N2 O12 P |
| Calculated formula | C10 H16 Cu K3 N2 O12 P |
| SMILES | C1C(=O)O[Cu]2345[N]1(CC(=O)O4)CP(=O)(C[N]2(CC(=O)O3)CC(=O)O5)[O-].[K+].[K+].O.[K+].O |
| Title of publication | Tripotassium (bis{[bis(carboxylatomethyl)amino]methyl}phosphinato)cuprate(II) dihydrate |
| Authors of publication | Liu, Liyan; Zhang, Rui; Fan, Ping; Yu, Zhan; Zhang, Xiangdong |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m73 |
| a | 11.88 ± 0.007 Å |
| b | 8.332 ± 0.005 Å |
| c | 9.681 ± 0.006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 958.3 ± 1 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 18 |
| Hermann-Mauguin space group symbol | P 21 21 2 |
| Hall space group symbol | P 2 2ab |
| Residual factor for all reflections | 0.0293 |
| Residual factor for significantly intense reflections | 0.0252 |
| Weighted residual factors for significantly intense reflections | 0.0625 |
| Weighted residual factors for all reflections included in the refinement | 0.0645 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.066 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181253 (current) | 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 2/23/31. |
2233123.cif 2233123.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. |
2233123.cif 2233123.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233123.cif 2233123.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. | 2233123.cif 2233123.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233123.cif 2233123.hkl |
| 32177 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233123 via cif-deposit CGI script. |
2233123.cif |
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Users of the data should acknowledge the original authors of the
structural data.