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Information card for entry 4064910
Preview
| Coordinates | 4064910.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H42 Au2 Br4 F12 N10 P2 |
|---|---|
| Calculated formula | C36 H42 Au2 Br4 F12 N10 P2 |
| SMILES | C12N(C=CN2C)Cc2cccc(c2)CN2C=CN(C2=[Au](=C2N(C=CN2C)Cc2cccc(c2)CN2C=CN(C2=[Au]=1(Br)Br)C)(Br)Br)C.[P](F)(F)(F)(F)(F)[F-].CC#N.[P](F)(F)(F)(F)(F)[F-].CC#N |
| Title of publication | Dinuclear N-Heterocyclic Dicarbene Gold Complexes in I‒III and III‒III Oxidation States: Synthesis and Structural Analysis |
| Authors of publication | Baron, Marco; Tubaro, Cristina; Basato, Marino; Biffis, Andrea; Natile, Marta M.; Graiff, Claudia |
| Journal of publication | Organometallics |
| Year of publication | 2011 |
| Journal volume | 30 |
| Journal issue | 17 |
| Pages of publication | 4607 |
| a | 8.138 ± 0.006 Å |
| b | 12.247 ± 0.009 Å |
| c | 13.659 ± 0.01 Å |
| α | 73.87 ± 0.013° |
| β | 81.918 ± 0.013° |
| γ | 74.257 ± 0.013° |
| Cell volume | 1255.6 ± 1.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0964 |
| Residual factor for significantly intense reflections | 0.0506 |
| Weighted residual factors for significantly intense reflections | 0.0896 |
| Weighted residual factors for all reflections included in the refinement | 0.1053 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178543 (current) | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/49. |
4064910.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064910.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064910.cif |
| 33088 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064906, 4064907, 4064908, 4064909, 4064910 via cif-deposit CGI script. |
4064910.cif |
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