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Information card for entry 4344423
Preview
| Coordinates | 4344423.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Chemical name | Bis(cyano-κC)[2-(3,5-diphenyl-1H-pyrrol-2-yl-κN)pyridinato-κN]gold(iii) diethyl ether solvate (2:1) |
|---|---|
| Formula | C50 H40 Au2 N8 O |
| Calculated formula | C50 H40 Au2 N8 O |
| Title of publication | Monocyclometalated Gold(III) Complexes Bearing π-Accepting Cyanide Ligands: Syntheses, Structural, Photophysical, and Electrochemical Investigations. |
| Authors of publication | Szentkuti, Alexander; Garg, Jai Anand; Blacque, Olivier; Venkatesan, Koushik |
| Journal of publication | Inorganic chemistry |
| Year of publication | 2015 |
| Journal volume | 54 |
| Journal issue | 22 |
| Pages of publication | 10748 - 10760 |
| a | 4.8031 ± 0.0002 Å |
| b | 11.6531 ± 0.0005 Å |
| c | 19.9543 ± 0.0011 Å |
| α | 75.611 ± 0.004° |
| β | 84.488 ± 0.004° |
| γ | 84.492 ± 0.003° |
| Cell volume | 1073.81 ± 0.09 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0828 |
| Residual factor for significantly intense reflections | 0.0632 |
| Weighted residual factors for significantly intense reflections | 0.1525 |
| Weighted residual factors for all reflections included in the refinement | 0.1576 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.138 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301840 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/34/ Each referenced PubChem compound corresponds to the full crystal structure. |
4344423.cif |
| 170791 | 2015-12-06 | cif/ Updating files of 4344422, 4344423, 4344424, 4344425, 4344426, 4344427 Original log message: Adding full bibliography for 4344422--4344427.cif. |
4344423.cif |
| 169897 | 2015-10-31 | cif/ Adding structures of 4344423 via cif-deposit CGI script. |
4344423.cif |
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Users of the data should acknowledge the original authors of the
structural data.