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Information card for entry 4085806
Preview
| Coordinates | 4085806.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C42 H42 Ag2 F12 N14 P2 |
|---|---|
| Calculated formula | C42 H42 Ag2 F12 N14 P2 |
| SMILES | [Ag](=C1N(CCCN2C(=[Ag]3)N(C=C2)c2ncccc2)C=CN1c1ncccc1)=C1N(C=CN1c1ncccc1)CCCN1C=3N(C=C1)c1ncccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].N#CC.N#CC |
| Title of publication | From Simple Ligands to Complex Structures: Structural Diversity of Silver(I) Complexes Bearing Tetradentate (alkylenebimpy) NHC Ligands |
| Authors of publication | Wagner, Thomas; Pöthig, Alexander; Augenstein, Hannah M. S.; Schmidt, Tobias D.; Kaposi, Marlene; Herdtweck, Eberhard; Brütting, Wolfgang; Herrmann, Wolfgang A.; Kühn, Fritz E. |
| Journal of publication | Organometallics |
| Year of publication | 2015 |
| Pages of publication | 150410094812000 |
| a | 15.0415 ± 0.0007 Å |
| b | 26.4269 ± 0.0012 Å |
| c | 23.8352 ± 0.0012 Å |
| α | 90° |
| β | 97.795 ± 0.002° |
| γ | 90° |
| Cell volume | 9386.9 ± 0.8 Å3 |
| Cell temperature | 123 ± 1 K |
| Ambient diffraction temperature | 123 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0272 |
| Residual factor for significantly intense reflections | 0.0224 |
| Weighted residual factors for significantly intense reflections | 0.057 |
| Weighted residual factors for all reflections included in the refinement | 0.0618 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176428 (current) | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
4085806.cif |
| 171425 | 2015-12-10 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_systematic tags with empty values from multiple entries. |
4085806.cif |
| 136838 | 2015-05-18 | cif/ Adding structures of 4085805, 4085806, 4085807, 4085808, 4085809 via cif-deposit CGI script. |
4085806.cif |
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Users of the data should acknowledge the original authors of the
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