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Information card for entry 7064386
Preview
| Coordinates | 7064386.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C43 H33 Au Cl N3 O2 P2 |
|---|---|
| Calculated formula | C43 H33 Au Cl N3 O2 P2 |
| Title of publication | Structural and computational evidence of rare synergic N(amide)H•••Au(I) and N(amidate)•••Au(I) secondary bonding interactions |
| Authors of publication | Caltagirone, Claudia; Lippolis, Vito; Olmos, Maria Elena; Coconubo, Laura; Moreno, Sonia; Picci, Giacomo; Monge, Miguel; López-de-Luzuriaga, José Maria |
| Journal of publication | New Journal of Chemistry |
| Year of publication | 2026 |
| a | 13.623 ± 0.0005 Å |
| b | 13.1182 ± 0.0005 Å |
| c | 25.113 ± 0.001 Å |
| α | 90° |
| β | 99.363 ± 0.001° |
| γ | 90° |
| Cell volume | 4428.1 ± 0.3 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 7 |
| 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 | 0.0581 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0919 |
| Weighted residual factors for all reflections included in the refinement | 0.1 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9975 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 305615 (current) | 2026-04-24 | cif/ Adding structures of 7064385, 7064386 via cif-deposit CGI script. |
7064386.cif |
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