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Information card for entry 7014302
Preview
| Coordinates | 7014302.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H54 Cu6 N18 O32 |
|---|---|
| Calculated formula | C60 H54 Cu6 N18 O32 |
| SMILES | [n]12ccccc1c1[n]([Cu]342[OH][Cu]2([OH]3[Cu]35([n]6ccccc6c6[n]3cccc6)[OH]3[Cu]67([n]8c(c9[n]6cccc9)cccc8)[OH][Cu]6([n]8c(cccc8)c8cccc[n]68)([OH]7[Cu]63([n]3ccccc3c3[n]6cccc3)[OH]45)ON(=O)=O)(ON(=O)=O)[n]3c(cccc3)c3cccc[n]23)cccc1.N(=O)(=O)[O-].N(=O)(=O)[O-].O.O.O.O.N(=O)(=O)[O-].N(=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 | 10.9 ± 0.002 Å |
| b | 11.965 ± 0.002 Å |
| c | 15.477 ± 0.003 Å |
| α | 98.08 ± 0.03° |
| β | 108.35 ± 0.03° |
| γ | 94.36 ± 0.03° |
| Cell volume | 1881.2 ± 0.7 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 | 0.1175 |
| Residual factor for significantly intense reflections | 0.0754 |
| Weighted residual factors for significantly intense reflections | 0.2368 |
| Weighted residual factors for all reflections included in the refinement | 0.2722 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| 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. |
7014302.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7014302.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7014302.cif |
| 14537 | 2011-03-11 | ../uploads/cif-deposit/cod/cif Adding structures of 7014299, 7014300, 7014301, 7014302, 7014303 via cif-deposit CGI script. |
7014302.cif |
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