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Information card for entry 4117488
Preview
| Coordinates | 4117488.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 |
|---|---|
| Calculated formula | C96 H84 Ag4 Au4 B4 Cl8 F16 N8 S8 |
| SMILES | [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1(c2n3[n]4c1C[S]([Ag]1[Au]564[Au]473[Ag]([S](C2)c2ccccc2)[S](Cc2c(c3C[S](c8ccccc8)[Ag]8[S](Cc9c(c%10n%11[n]9[Au]78([n]3n42)[Au]25%11[Ag]([S](C%10)c3ccccc3)[S](Cc3c(c(C[S]1c1ccccc1)[n]6n23)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
| Title of publication | A New Dimension in Cyclic Coinage Metal Pyrazolates: Decoration with a Second Ring of Coinage Metals Supported by Inter-ring Metallophilic Interactions |
| Authors of publication | Ann Christin Jahnke; Kevin Pröpper; Catherine Bronner; Jörg Teichgräber; Sebastian Dechert; Michael John; Oliver S. Wenger; Franc Meyer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2012 |
| Journal volume | 134 |
| Pages of publication | 2938 - 2941 |
| a | 31.0857 ± 0.0005 Å |
| b | 13.319 ± 0.0003 Å |
| c | 29.7191 ± 0.0005 Å |
| α | 90° |
| β | 118.078 ± 0.001° |
| γ | 90° |
| Cell volume | 10856.5 ± 0.4 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0381 |
| Residual factor for significantly intense reflections | 0.0356 |
| Weighted residual factors for significantly intense reflections | 0.0889 |
| Weighted residual factors for all reflections included in the refinement | 0.0901 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.168 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178945 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/74. |
4117488.cif |
| 74587 | 2013-03-01 | cif/ Adding structures of 4117488 via cif-deposit CGI script. |
4117488.cif |
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Users of the data should acknowledge the original authors of the
structural data.