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Information card for entry 7207308
Preview
| Coordinates | 7207308.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C78 H80 Cl4 Cu4 N12 O8 |
|---|---|
| Calculated formula | C78 H80 Cl4 Cu4 N12 O8 |
| SMILES | c12cc(ccc1c(c1c([o+]2)cc(N(CC)CC)cc1)c1ccccc1C1=[N]2[N]3=C(O[Cu]2(Cl)Cl)c2ccccc2[O]2[Cu]3([N]#CC)(O1)[O]1c3c(C4=[N]5[Cu]21([N]#CC)OC(=[N]5[Cu](O4)(Cl)Cl)c1c(c2c4c([o+]c5c2ccc(N(CC)CC)c5)cc(cc4)N(CC)CC)cccc1)cccc3)N(CC)CC.CC#N.N#CC |
| Title of publication | A Cu(ii)-based chemosensing ensemble bearing rhodamine B fluorophore for fluorescence turn-on detection of cyanide |
| Authors of publication | Liu, Yunlong; Lv, Xin; Zhao, Yun; Liu, Jing; Sun, Yuan-Qiang; Wang, Pi; Guo, Wei |
| Journal of publication | Journal of Materials Chemistry |
| Year of publication | 2012 |
| Journal volume | 22 |
| Journal issue | 5 |
| Pages of publication | 1747 |
| a | 12.2737 ± 0.0019 Å |
| b | 24.368 ± 0.004 Å |
| c | 12.778 ± 0.0019 Å |
| α | 90° |
| β | 99.816 ± 0.002° |
| γ | 90° |
| Cell volume | 3765.8 ± 1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.081 |
| Residual factor for significantly intense reflections | 0.0583 |
| Weighted residual factors for significantly intense reflections | 0.148 |
| Weighted residual factors for all reflections included in the refinement | 0.1613 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.296 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180404 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/73. |
7207308.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7207308.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7207308.cif |
| 33515 | 2012-02-12 | ../uploads/cif-deposit/cod/cif Adding structures of 7207307, 7207308 via cif-deposit CGI script. |
7207308.cif |
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