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Information card for entry 7034086
Preview
| Coordinates | 7034086.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C64 H146 Au6 N16 P8 S8 |
|---|---|
| Calculated formula | C64 H146 Au6 N16 P8 S8 |
| SMILES | C(C)(C)(C)N1P23N(C(C)(C)C)P(N(C(C)(C)C)[Au]4[S]=P5(N([Au]14)C(C)(C)C)N(P(NC(C)(C)C)(N5C(C)(C)C)=S)C(C)(C)C)(N2C(C)(C)C)=[S][Au]1[Au]([S]=3)[S]=P23N(C(C)(C)C)[Au]4[S]=P5(N([Au]4N(C(C)(C)C)P(N2C(C)(C)C)(N3C(C)(C)C)=[S]1)C(C)(C)C)N(P(NC(C)(C)C)(N5C(C)(C)C)=S)C(C)(C)C |
| Title of publication | Spirocyclic, macrocyclic and ladder complexes of coinage metals and mercury with dichalcogeno P2N2-supported anions. |
| Authors of publication | Nordheider, Andreas; Hüll, Katharina; Athukorala Arachchige, Kasun S.; Slawin, Alexandra M. Z.; Woollins, J. Derek; Thirumoorthi, Ramalingam; Chivers, Tristram |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2015 |
| Journal volume | 44 |
| Journal issue | 12 |
| Pages of publication | 5338 - 5346 |
| a | 31.316 ± 0.004 Å |
| b | 18.931 ± 0.002 Å |
| c | 17.846 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 10580 ± 2 Å3 |
| Cell temperature | 93 K |
| Ambient diffraction temperature | 93 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 significantly intense reflections | 0.0339 |
| Weighted residual factors for all reflections included in the refinement | 0.1105 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180046 (current) | 2016-03-25 | cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/40. |
7034086.cif |
| 134998 | 2015-04-06 | cif/ Updating files of 7034082, 7034083, 7034084, 7034085, 7034086 Original log message: Adding full bibliography for 7034082--7034086.cif. |
7034086.cif |
| 131970 | 2015-02-18 | cif/ Adding structures of 7034082, 7034083, 7034084, 7034085, 7034086 via cif-deposit CGI script. |
7034086.cif |
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Users of the data should acknowledge the original authors of the
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