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Information card for entry 1512660
Preview
| Coordinates | 1512660.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H68 Cl6 Cu3 N18 O24 |
|---|---|
| Calculated formula | C94 H68 Cl6 Cu3 N18 O24 |
| SMILES | [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3c1c1[n]2cccc1cc3)[n]1ccc(N)cc1.[Cu]123([n]4cccc5c4c4[n]1cccc4cc5)([n]1cccc4c1c1[n]3cccc1cc4)[n]1cccc3ccc4ccc[n]2c4c13.[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)[n]1ccc(N)cc1.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-] |
| Title of publication | A special case of copper(II) complex having monodentate and uncoordinated 4-aminopyridine molecules stabilized by highly cooperative supramolecular interactions |
| Authors of publication | Feng Xu; Tao Tao; Qian-Qian Liu; Jiao Geng; Wei Huang |
| Journal of publication | Inorganica Chimica Acta |
| Year of publication | 2012 |
| Journal volume | 392 |
| Pages of publication | 465 - 468 |
| a | 46.466 ± 0.006 Å |
| b | 16.21 ± 0.002 Å |
| c | 12.543 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9448 ± 2 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.1574 |
| Residual factor for significantly intense reflections | 0.0688 |
| Weighted residual factors for significantly intense reflections | 0.1703 |
| Weighted residual factors for all reflections included in the refinement | 0.1956 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.832 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176729 (current) | 2016-02-18 | cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1. |
1512660.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1512660.cif |
| 89916 | 2013-11-15 | cif/ Adding structures of 1512660 via cif-deposit CGI script. |
1512660.cif |
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