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Information card for entry 4104621
Preview
| Coordinates | 4104621.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C44 H36 Au2 F12 N6 P2 |
|---|---|
| Calculated formula | C44 H36 Au2 F12 N6 P2 |
| SMILES | c12[Au]3([n]4c(c2cccc1)cccc4c1c3cccc1)=C1N(C)C=CN1CCN1C(N(C)C=C1)=[Au]12c3c(c4[n]2c(c2c1cccc2)ccc4)cccc3.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-] |
| Title of publication | Luminescent Cyclometalated N-Heterocyclic Carbene-Containing Organogold(III) Complexes: Synthesis, Characterization, Electrochemistry, and Photophysical Studies |
| Authors of publication | Vonika Ka-Man Au; Keith Man-Chung Wong; Nianyong Zhu; Vivian Wing-Wah Yam |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2009 |
| Journal volume | 131 |
| Pages of publication | 9076 - 9085 |
| a | 20.382 ± 0.004 Å |
| b | 13.797 ± 0.003 Å |
| c | 17.645 ± 0.003 Å |
| α | 90° |
| β | 115.82 ± 0.03° |
| γ | 90° |
| Cell volume | 4466.6 ± 1.9 Å3 |
| Cell temperature | 301 ± 2 K |
| Ambient diffraction temperature | 301 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0572 |
| Residual factor for significantly intense reflections | 0.0436 |
| Weighted residual factors for significantly intense reflections | 0.108 |
| Weighted residual factors for all reflections included in the refinement | 0.1141 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178792 (current) | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/46. |
4104621.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4104621.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4104621.cif |
| 29647 | 2011-11-04 | ../uploads/cif-deposit/cod/cif Adding structures of 4104621 via cif-deposit CGI script. |
4104621.cif |
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