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Information card for entry 4337284
Preview
| Coordinates | 4337284.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H53 Ag6 Cl2 F15 N6 O9 S9 |
|---|---|
| Calculated formula | C61 H53 Ag6 Cl2 F15 N6 O9 S9 |
| SMILES | c1c2CC[S](c3ccc(F)cc3)[Ag][S](c3ccc(F)cc3)CCc1[n]1n2[Ag][n]2c3cc(CC[S]([Ag][S](c4ccc(cc4)F)CC3)c3ccc(cc3)F)n2[Ag][n]2c3cc(n2[Ag]1)CC[S](c1ccc(cc1)F)[Ag][S](CC3)c1ccc(cc1)F.C(F)(F)(F)S(=O)(=O)[O-].C(Cl)Cl.[O-]S(=O)(=O)C(F)(F)F.O=S(=O)([O-])C(F)(F)F |
| Title of publication | Crowning of coinage metal pyrazolates: double-decker homo- and heteronuclear complexes with synergic emissive properties. |
| Authors of publication | Veronelli, Mattia; Kindermann, Nicole; Dechert, Sebastian; Meyer, Steffen; Meyer, Franc |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2014 |
| Journal volume | 53 |
| Journal issue | 4 |
| Pages of publication | 2333 - 2341 |
| a | 14.9374 ± 0.0005 Å |
| b | 16.5649 ± 0.0006 Å |
| c | 18.5377 ± 0.0006 Å |
| α | 112.851 ± 0.002° |
| β | 101.668 ± 0.003° |
| γ | 107.282 ± 0.003° |
| Cell volume | 3764 ± 0.3 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0435 |
| Residual factor for significantly intense reflections | 0.0308 |
| Weighted residual factors for significantly intense reflections | 0.0664 |
| Weighted residual factors for all reflections included in the refinement | 0.0697 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 268283 (current) | 2021-08-30 | cif/4: Fixing Z values and formulae |
4337284.cif |
| 179475 | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/72. |
4337284.cif |
| 106258 | 2014-03-15 | cif/ Adding structures of 4337283, 4337284, 4337285 via cif-deposit CGI script. |
4337284.cif |
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Users of the data should acknowledge the original authors of the
structural data.