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Information card for entry 4319917
Preview
| Coordinates | 4319917.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C22 H24 Cu F6 N4 O6 S2 |
|---|---|
| Calculated formula | C22 H24 Cu F6 N4 O6 S2 |
| SMILES | C1c2cccc([n]2[Cu]23([N]=1[C@@H]1CCCC[C@H]1[N]2=Cc1cccc([n]31)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C.C1c2cccc([n]2[Cu]23([N]=1[C@H]1CCCC[C@@H]1[N]2=Cc1cccc([n]31)C)(OS(=O)(=O)C(F)(F)F)OS(=O)(=O)C(F)(F)F)C |
| Title of publication | Electrochemical Assembling/Disassembling of Helicates with Hysteresis |
| Authors of publication | Valeria Amendola; Luigi Fabbrizzi; Luca Gianelli; Cristina Maggi; Carlo Mangano; Piersandro Pallavicini; Michele Zema |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2001 |
| Journal volume | 40 |
| Pages of publication | 3579 - 3587 |
| a | 16.475 ± 0.007 Å |
| b | 11.926 ± 0.004 Å |
| c | 16.271 ± 0.005 Å |
| α | 90° |
| β | 118.5 ± 0.03° |
| γ | 90° |
| Cell volume | 2809.5 ± 1.9 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0881 |
| Residual factor for significantly intense reflections | 0.0451 |
| Weighted residual factors for significantly intense reflections | 0.1176 |
| Weighted residual factors for all reflections included in the refinement | 0.1468 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179279 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/99. |
4319917.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4319917.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4319917.cif |
| 16722 | 2011-03-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4319917 via cif-deposit CGI script. |
4319917.cif |
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Users of the data should acknowledge the original authors of the
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