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Information card for entry 2232709
Preview
| Coordinates | 2232709.cif |
|---|---|
| Structure factors | 2232709.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ- {2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}] |
|---|---|
| Formula | C22 H23 Cl Cu N2 O3 |
| Calculated formula | C22 H23 Cl Cu N2 O3 |
| SMILES | [Cu]1(Cl)(OC(=O)C[C@H]2C(C)(C)[C@H](C2)C(=O)C)([n]2cccc3ccc4ccc[n]1c4c23)[O]=C(O[Cu]1([n]2cccc3ccc4ccc[n]1c4c23)Cl)C[C@@H]1C(C)(C)[C@@H](C1)C(=O)C |
| Title of publication | <i>catena</i>-Poly[[chlorido(1,10-phenanthroline)copper(II)]-μ-{2-[(1<i>S</i>,3<i>S</i>)-3-acetyl-2,2-dimethylcyclobutyl]acetato}] |
| Authors of publication | Ma, Shi-ying; Li, Yan-fei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1789 |
| a | 14.6143 ± 0.0011 Å |
| b | 14.492 ± 0.0012 Å |
| c | 9.8419 ± 0.0008 Å |
| α | 90° |
| β | 98.208 ± 0.001° |
| γ | 90° |
| Cell volume | 2063.1 ± 0.3 Å3 |
| Cell temperature | 273 ± 2 K |
| Ambient diffraction temperature | 273 ± 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 | 0.0503 |
| Residual factor for significantly intense reflections | 0.0357 |
| Weighted residual factors for significantly intense reflections | 0.0884 |
| Weighted residual factors for all reflections included in the refinement | 0.0965 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.034 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181249 (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 2/23/27. |
2232709.cif 2232709.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. |
2232709.cif 2232709.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2232709.cif 2232709.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. | 2232709.cif 2232709.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2232709.cif 2232709.hkl |
| 31587 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2232709 via cif-deposit CGI script. |
2232709.cif |
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Users of the data should acknowledge the original authors of the
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