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Information card for entry 4117485
Preview
| Coordinates | 4117485.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C68 H60 Ag4 Au4 B4 F16 N8 S8 |
|---|---|
| Calculated formula | C68 H60 Ag4 Au4 B4 F16 N8 S8 |
| SMILES | [Au]12[Ag]3[S](Cc4n1[n]1[Au]5[Ag]([S](Cc1c4)c1ccccc1)[S](Cc1n5[n]4[Au]5[Ag]([S](Cc4c1)c1ccccc1)[S](Cc1n5[n]4[Au]5[Ag]([S](Cc4c1)c1ccccc1)[S](Cc1n5[n]2c(c1)C[S]3c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| 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 | 20.2808 ± 0.001 Å |
| b | 31.1535 ± 0.0014 Å |
| c | 13.2331 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8360.9 ± 0.7 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0853 |
| Residual factor for significantly intense reflections | 0.0823 |
| Weighted residual factors for significantly intense reflections | 0.2051 |
| Weighted residual factors for all reflections included in the refinement | 0.2078 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| 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. |
4117485.cif |
| 74584 | 2013-03-01 | cif/ Adding structures of 4117485 via cif-deposit CGI script. |
4117485.cif |
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Users of the data should acknowledge the original authors of the
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