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Information card for entry 7038689
Preview
| Coordinates | 7038689.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H64 Cl4 Cu8 N4 O32 |
|---|---|
| Calculated formula | C56 H64 Cl4 Cu8 N4 O32 |
| SMILES | c12ccccc1C[NH]1[Cu]34([O]2[Cu]25[O]4[Cu]4([O]3c3c(C1)cccc3)[O]1c3ccccc3C[NH]3Cc6ccccc6[O]6[Cu]7(OCl(=O)(=O)=O)([O]8c9c(C[NH]%10Cc%11c([O]%12[Cu]%13([O]%14c%15c(C[NH]%16Cc%17c(cccc%17)[O]2[Cu]%14%16([O]5%13)[OH2])cccc%15)[O]7[Cu]8%10%12[OH2])cccc%11)cccc9)([O]4[Cu]136[OH2])OCl(=O)(=O)=O)[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O |
| Title of publication | Aggregation of the metallocycles {Cu8} and {Cu20} using [Cu(bp)] units (H2bp = bis(2-hydroxybenzyl)amine): structures and magnetic properties. |
| Authors of publication | Xu, Mei-Yu; Wang, Ya-Ting; Ni, Qing-Ling; Zhang, Zi-Hao; Wang, Xiu-Jian; Liang, Guang-Ming; Gui, Liu-Cheng |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 12 |
| Pages of publication | 4993 - 4997 |
| a | 26.0104 ± 0.0006 Å |
| b | 26.0104 ± 0.0006 Å |
| c | 14.1858 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9597.3 ± 0.6 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 92 |
| Hermann-Mauguin space group symbol | P 41 21 2 |
| Hall space group symbol | P 4abw 2nw |
| Residual factor for all reflections | 0.1893 |
| Residual factor for significantly intense reflections | 0.0997 |
| Weighted residual factors for significantly intense reflections | 0.2679 |
| Weighted residual factors for all reflections included in the refinement | 0.3207 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.971 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181659 (current) | 2016-04-05 | cif/ Updating files of 7038688, 7038689 Original log message: Adding full bibliography for 7038688--7038689.cif. |
7038689.cif |
| 177271 | 2016-03-04 | cif/ Adding structures of 7038689 via cif-deposit CGI script. |
7038689.cif |
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