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Information card for entry 7041509
Preview
| Coordinates | 7041509.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C100 H118 Cl10 Cu8 N16 O42 |
|---|---|
| Calculated formula | C100 H118 Cl10 Cu8 N16 O42 |
| SMILES | c12[n]3c(nc(n1)N(Cc1ccccc1)Cc1ccccc1)[NH]1Cc4[n](cccc4)[Cu]41([O]1[Cu]53([OH][Cu]36([n]7c8nc(nc7[NH]7Cc9[n](cccc9)[Cu]97([O]3[Cu]3([O]6[Cu]6(OCl(=O)(=O)=O)([NH]8Cc7[n]6cccc7)[O]=C(O3)c3ccccc3)([O]=C(O9)c3ccccc3)OCl(=O)(=O)=O)[OH]C(C)C)N(Cc3ccccc3)Cc3ccccc3)[OH]5)[O]3[Cu]1([O]=C(O4)c1ccccc1)(OCl(=O)(=O)=O)OC(=[O][Cu]13([NH]2Cc2[n]1cccc2)OCl(=O)(=O)=O)c1ccccc1)[OH]C(C)C.C(C)(C)O.C(Cl)Cl.Cl(=O)(=O)(=O)[O-].C(C)(C)O.C(Cl)Cl.Cl(=O)(=O)(=O)[O-] |
| Title of publication | The synthesis of three new Cu5, Cu8 and Cu12 clusters via the use of a semi-flexible aminotriazine-based bis-methylpyridine ligand. |
| Authors of publication | Chiang, Chun-Hung; Tzeng, Yen-Wen; Yang, Chen-I; Nakano, Motohiro; Wan, Wun-Long; Lai, Long-Li; Lee, Gene-Hsiang |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2017 |
| Journal volume | 46 |
| Journal issue | 4 |
| Pages of publication | 1237 - 1248 |
| a | 12.859 ± 0.0012 Å |
| b | 15.819 ± 0.0015 Å |
| c | 16.8926 ± 0.0016 Å |
| α | 116.752 ± 0.002° |
| β | 91.136 ± 0.002° |
| γ | 96.267 ± 0.002° |
| Cell volume | 3040.9 ± 0.5 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.1067 |
| Residual factor for significantly intense reflections | 0.0675 |
| Weighted residual factors for significantly intense reflections | 0.1821 |
| Weighted residual factors for all reflections included in the refinement | 0.2085 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.108 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 191619 (current) | 2017-02-04 | cif/ Updating files of 7041508, 7041509, 7041510 Original log message: Adding full bibliography for 7041508--7041510.cif. |
7041509.cif |
| 189261 | 2016-12-20 | cif/ Adding structures of 7041508, 7041509, 7041510 via cif-deposit CGI script. |
7041509.cif |
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