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Information card for entry 7022105
Preview
| Coordinates | 7022105.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C73 H81 Cu8 N11 O27 |
|---|---|
| Calculated formula | C73 H65 Cu8 N11 O27 |
| SMILES | [Cu]123[O]([Cu]45([OH2])[N]6=Cc7c8c(ccc7)O[Cu]97[O]48)c4c(C=[N]5CC6)ccc(c4O1)c1ccc4c5c1C=[N]1[Cu]6([O]8[Cu]%10%11Oc%12cccc(C=[N]6CC1)c8%12)[O]5[Cu]1(O4)[O]4[Cu]56[N](=Cc8ccc(c%12c%13C=[N]%14[Cu]%15([N](=Cc%16c(c(ccc%16)O2)[O]3%15)CC%14)[O]9c%13c(cc%12)O7)c(c8[O]6%11)O%10)CC[N]5=Cc2cccc(c42)O1.C(=O)N(C)C.C(=O)N(C)C.C(=O)N(C)C.O.O.O.O.O.O.O |
| Title of publication | Syntheses, structure, and magnetic properties of heteronuclear Cu(II)4Fe(III)4 cluster and Cu(II)8 bimetallacycles. |
| Authors of publication | Hu, Kong-Qiu; Wu, Shu-Qi; An, Guang-Yu; Cui, Ai-Li; Kou, Hui-Zhong |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2013 |
| Journal volume | 42 |
| Journal issue | 4 |
| Pages of publication | 1102 - 1108 |
| a | 14.7644 ± 0.0013 Å |
| b | 15.3413 ± 0.0014 Å |
| c | 18.7449 ± 0.0019 Å |
| α | 87.711 ± 0.003° |
| β | 85.549 ± 0.003° |
| γ | 75.531 ± 0.003° |
| Cell volume | 4097.8 ± 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 | 0.2541 |
| Residual factor for significantly intense reflections | 0.0968 |
| Weighted residual factors for significantly intense reflections | 0.2073 |
| Weighted residual factors for all reflections included in the refinement | 0.2629 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179926 (current) | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21. |
7022105.cif |
| 89978 | 2013-11-17 | cif/ Adding structures of 7022105, 7022106, 7022107 via cif-deposit CGI script. |
7022105.cif |
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Users of the data should acknowledge the original authors of the
structural data.