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Information card for entry 7014299
Preview
| Coordinates | 7014299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H62 Cu4 N10 O24 |
|---|---|
| Calculated formula | C45 H62 Cu4 N10 O24 |
| SMILES | [Cu]12([OH][Cu]34([OH]5[Cu]6([n]7ccccc7c7[n]6cccc7)([OH][Cu]56([OH2])[n]5c(c7[n]6cccc7)cccc5)[OH]13)[n]1ccccc1c1cccc[n]41)([OH2])[n]1c(c3cccc[n]23)cccc1.[O-]C(=O)CCCC(=O)[O-].N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.O.O.O.O |
| Title of publication | New Cu(II) complexes based on the hydroxo-bridged dinuclear [Cu(OH)2Cu] units: step-like di- and trimerizations of [Cu(OH)2Cu] units. |
| Authors of publication | Zheng, Yue-Qing; Cheng, De-Yi; Liu, Bin-Bin; Huang, Wen-Xiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2011 |
| Journal volume | 40 |
| Journal issue | 1 |
| Pages of publication | 277 - 286 |
| a | 9.2992 ± 0.0019 Å |
| b | 15.585 ± 0.003 Å |
| c | 19.286 ± 0.004 Å |
| α | 91.2 ± 0.03° |
| β | 100.97 ± 0.03° |
| γ | 93.38 ± 0.03° |
| Cell volume | 2737.8 ± 1 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 | 0.0693 |
| Residual factor for significantly intense reflections | 0.0379 |
| Weighted residual factors for significantly intense reflections | 0.1058 |
| Weighted residual factors for all reflections included in the refinement | 0.1247 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.964 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
7014299.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014299.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014299.cif |
| 14537 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014299, 7014300, 7014301, 7014302, 7014303 via cif-deposit CGI script. |
7014299.cif |
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