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Information card for entry 2232147
Preview
| Coordinates | 2232147.cif |
|---|---|
| Structure factors | 2232147.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>imidazole-κ<i>N</i>^3^)copper(II)]- μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
|---|---|
| Formula | C12 H16 Cu N4 O4 |
| Calculated formula | C12 H16 Cu N4 O4 |
| SMILES | [Cu]1([n]2cn(CC)cc2)([n]2cn(cc2)CC)[O]=C2C(O1)=[O][Cu]1(O2)(OC(=O)C(=O)O1)([n]1ccn(c1)CC)[n]1cn(cc1)CC |
| Title of publication | <i>catena</i>-Poly[[bis(1-ethyl-1<i>H</i>-imidazole-κ<i>N</i>^3^)copper(II)]-μ-oxalato-κ^4^<i>O</i>^1^,<i>O</i>^2^:<i>O</i>^1'^,<i>O</i>^2'^] |
| Authors of publication | Xu, Qian |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 11 |
| Pages of publication | m1585 |
| a | 5.62 ± 0.0011 Å |
| b | 8.8577 ± 0.0018 Å |
| c | 14.481 ± 0.003 Å |
| α | 90° |
| β | 96.55 ± 0.03° |
| γ | 90° |
| Cell volume | 716.2 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0603 |
| Residual factor for significantly intense reflections | 0.04 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0924 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.048 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181243 (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 2/23/21. |
2232147.cif 2232147.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. |
2232147.cif 2232147.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232147.cif 2232147.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. | 2232147.cif 2232147.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232147.cif 2232147.hkl |
| 30789 | 2011-12-12 | ../uploads/cif-deposit/cod/cif Adding structures of 2232147 via cif-deposit CGI script. |
2232147.cif |
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Users of the data should acknowledge the original authors of the
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