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Information card for entry 7202958
Preview
| Coordinates | 7202958.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C94 H80 Au4 Cl4 F12 N4 O12 P4 |
|---|---|
| Calculated formula | C94 H80 Au4 Cl4 F12 N4 O12 P4 |
| SMILES | [Au]([n]1ccc(cc1)/C=C/c1cc[n]([Au][P](c2c(cccc2)[P]([Au][n]2ccc(cc2)/C=C/c2cc[n]3cc2)(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)cc1)[P](c1ccccc1)(c1ccccc1)c1c(cccc1)[P](c1ccccc1)(c1ccccc1)[Au]3.FC(F)(F)C(=O)[O-].FC(F)(C(=O)[O-])F.O.O.C(Cl)Cl.FC(F)(F)C(=O)[O-].FC(F)(F)C(=O)[O-].O.O.C(Cl)Cl |
| Title of publication | Self-assembly of gold(i) with diphosphine and bitopic nitrogen donor linkers in the presence of trifluoroacetate anion: formation of coordination polymer versus discrete macrocycle |
| Authors of publication | Deák, Andrea; Tunyogi, Tünde; Tárkányi, Gábor; Király, Péter; Pálinkás, Gábor |
| Journal of publication | CrystEngComm |
| Year of publication | 2007 |
| Journal volume | 9 |
| Journal issue | 8 |
| Pages of publication | 640 |
| a | 10.0634 ± 0.0014 Å |
| b | 21.126 ± 0.003 Å |
| c | 22.728 ± 0.004 Å |
| α | 90° |
| β | 100.424 ± 0.006° |
| γ | 90° |
| Cell volume | 4752.2 ± 1.3 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 8 |
| 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 | 0.0486 |
| Residual factor for significantly intense reflections | 0.0386 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Weighted residual factors for all reflections included in the refinement | 0.0841 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.037 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180360 (current) | 2016-03-26 | cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/29. |
7202958.cif |
| 120112 | 2014-07-12 | Adding DOIs to range 7 structures. | 7202958.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7202958.cif |
| 1188 | 2010-06-06 | cif/{1,7}/ Adding CIFs from Miguel-Quiros-2010_05, New-J-Chem-2007, Org-Biomol-Chem-2007 and RSC-2007 data extraction directories. |
7202958.cif |
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Users of the data should acknowledge the original authors of the
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