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Information card for entry 4070653
Preview
| Coordinates | 4070653.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C60 H44 Au N5 P2 |
|---|---|
| Calculated formula | C60 H44 Au N5 P2 |
| SMILES | C(#Cc1cnc(cc1)c1ncccc1)[Au]C#Cc1ccc(c2ncccc2)nc1.N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1 |
| Title of publication | Synthesis of Luminescent Alkynyl Gold Metalaligands Containing 2,2′-Bipyridine-5-yl and 2,2′:6′,2′′-Terpyridine-4-yl Donor Groups |
| Authors of publication | Vicente, José; Gil-Rubio, Juan; Barquero, Natalia; Jones, Peter G.; Bautista, Delia |
| Journal of publication | Organometallics |
| Year of publication | 2008 |
| Journal volume | 27 |
| Journal issue | 4 |
| Pages of publication | 646 |
| a | 25.492 ± 0.003 Å |
| b | 12.3916 ± 0.0012 Å |
| c | 15.1409 ± 0.0015 Å |
| α | 90° |
| β | 103.802 ± 0.002° |
| γ | 90° |
| Cell volume | 4644.7 ± 0.8 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0389 |
| Residual factor for significantly intense reflections | 0.0372 |
| Weighted residual factors for significantly intense reflections | 0.0802 |
| Weighted residual factors for all reflections included in the refinement | 0.0808 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.254 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178595 (current) | 2016-03-21 | cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/06. |
4070653.cif |
| 120075 | 2014-07-11 | Adding DOIs to range 4/07 structures. | 4070653.cif |
| 47256 | 2012-03-23 | cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories. |
4070653.cif |
| 42621 | 2012-03-13 | ../uploads/cif-deposit/cod/cif Adding structures of 4070653 via cif-deposit CGI script. |
4070653.cif |
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Users of the data should acknowledge the original authors of the
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