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Information card for entry 2021557
Preview
| Coordinates | 2021557.cif |
|---|---|
| Structure factors | 2021557.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) chloride benzene monosolvate |
|---|---|
| Formula | C64 H58 Au Cl N4 O4 |
| Calculated formula | C64 H58 Au Cl N4 O4 |
| Title of publication | Synthesis and molecular structure of biologically significant bis(1,3-dimesityl-4,5-naphthoquinoimidazol-2-ylidene)gold(I) complexes with chloride and dichloridoaurate counter-ions |
| Authors of publication | Selvakumar, Jayaraman; Miles, Meredith H.; Grossie, David A.; Arumugam, Kuppuswamy |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2019 |
| Journal volume | 75 |
| Journal issue | 4 |
| Pages of publication | 462 - 468 |
| a | 24.368 ± 0.003 Å |
| b | 14.7921 ± 0.0018 Å |
| c | 33.349 ± 0.004 Å |
| α | 90° |
| β | 103.63 ± 0.005° |
| γ | 90° |
| Cell volume | 11682 ± 2 Å3 |
| Cell temperature | 183 ± 2 K |
| Ambient diffraction temperature | 183 ± 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 | 0.0747 |
| Residual factor for significantly intense reflections | 0.05 |
| Weighted residual factors for significantly intense reflections | 0.1079 |
| Weighted residual factors for all reflections included in the refinement | 0.1189 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.003 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 214404 (current) | 2019-03-28 | cif/ hkl/ Adding structures of 2021557, 2021558 via cif-deposit CGI script. |
2021557.cif 2021557.hkl |
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Users of the data should acknowledge the original authors of the
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