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Information card for entry 4064907
Preview
| Coordinates | 4064907.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H28 Au2 Br2 Cl4 F12 N8 P2 |
|---|---|
| Calculated formula | C20 H28 Au2 Br2 Cl4 F12 N8 P2 |
| SMILES | C12N(C=CN1CN1C=CN(C1=[Au]=C1N(CN3C(N(C=C3)C)=[Au]=2(Br)Br)C=CN1C)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.C(Cl)Cl |
| 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 | 9.1548 ± 0.0008 Å |
| b | 23.627 ± 0.002 Å |
| c | 18.4503 ± 0.0016 Å |
| α | 90° |
| β | 99.639 ± 0.002° |
| γ | 90° |
| Cell volume | 3934.5 ± 0.6 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 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 | 0.1404 |
| Residual factor for significantly intense reflections | 0.052 |
| Weighted residual factors for significantly intense reflections | 0.1228 |
| Weighted residual factors for all reflections included in the refinement | 0.1581 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.987 |
| 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. |
4064907.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4064907.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4064907.cif |
| 33088 | 2012-02-11 | ../uploads/cif-deposit/cod/cif Adding structures of 4064906, 4064907, 4064908, 4064909, 4064910 via cif-deposit CGI script. |
4064907.cif |
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