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Information card for entry 2231677
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| Coordinates | 2231677.cif |
|---|---|
| Structure factors | 2231677.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate |
|---|---|
| Formula | C8 H24 Cu N6 O8 |
| Calculated formula | C8 H24 Cu N6 O8 |
| SMILES | C1[NH]2CC[OH][Cu]342([NH](CC[NH2]3)CC[OH]4)[NH2]C1.N(=O)(=O)[O-].N(=O)(=O)[O-] |
| Title of publication | Bis[2-(2-aminoethylamino)ethanol]copper(II) dinitrate |
| Authors of publication | Azadbakht, Reza; Amiri Rudbari, Hadi; Bruno, Giuseppe |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1203 |
| a | 14.664 ± 0.0001 Å |
| b | 14.664 ± 0.0001 Å |
| c | 29.8298 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 6414.39 ± 0.16 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 142 |
| Hermann-Mauguin space group symbol | I 41/a c d :2 |
| Hall space group symbol | -I 4bd 2c |
| Residual factor for all reflections | 0.0445 |
| Residual factor for significantly intense reflections | 0.0351 |
| Weighted residual factors for significantly intense reflections | 0.1132 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.041 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231677.cif 2231677.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. |
2231677.cif 2231677.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231677.cif 2231677.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. | 2231677.cif 2231677.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231677.cif 2231677.hkl |
| 27808 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231677 via cif-deposit CGI script. |
2231677.cif |
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Users of the data should acknowledge the original authors of the
structural data.