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Information card for entry 2234348
Preview
| Coordinates | 2234348.cif |
|---|---|
| Structure factors | 2234348.hkl |
| Original IUCr paper | HTML |
| Formula | C42 H38 Cu2 N2 O8 |
|---|---|
| Calculated formula | C42 H38 Cu2 N2 O8 |
| SMILES | C1(c2ccccc2)=[O][Cu]234([O]=C(c5ccccc5)O[Cu]2([n]2cc(cc(c2)C)C)(O1)([O]=C(c1ccccc1)O3)[O]=C(c1ccccc1)O4)[n]1cc(cc(c1)C)C |
| Title of publication | Tetra-μ-benzoato-bis[(3,5-dimethylpyridine)copper(II)] |
| Authors of publication | Guo, Qian; Wang, Ping; Liu, Fu-Chen |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 4 |
| Pages of publication | m437 |
| a | 10.249 ± 0.002 Å |
| b | 10.619 ± 0.002 Å |
| c | 10.752 ± 0.002 Å |
| α | 64.14 ± 0.03° |
| β | 67.34 ± 0.03° |
| γ | 80.36 ± 0.03° |
| Cell volume | 971.7 ± 0.5 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1075 |
| Residual factor for significantly intense reflections | 0.0668 |
| Weighted residual factors for significantly intense reflections | 0.1421 |
| Weighted residual factors for all reflections included in the refinement | 0.162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.059 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181265 (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 2/23/43. |
2234348.cif 2234348.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. |
2234348.cif 2234348.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234348.cif 2234348.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. | 2234348.cif 2234348.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234348.cif 2234348.hkl |
| 55619 | 2012-05-05 | cif/ Adding structures of 2234348 via cif-deposit CGI script. |
2234348.cif |
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Users of the data should acknowledge the original authors of the
structural data.