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Information card for entry 1549352
Preview
| Coordinates | 1549352.cif |
|---|---|
| Structure factors | 1549352.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒triflate (1.2/1.8) |
|---|---|
| Formula | C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 |
| Calculated formula | C47.8 H42 Au Co2 F12.6 Fe2 N6 O5.4 P1.2 S1.8 |
| Title of publication | Bis(4-cobaltoceniumyl-1-ferrocenyl-3-methyl-1,2,3-triazolylidene)gold(I) hexafluoridophosphate‒trifluoromethanesulfonate (1.2/1.8) |
| Authors of publication | Vanicek, Stefan; Wurst, Klaus; Kopacka, Holger; Bildstein, Benno |
| Journal of publication | IUCrData |
| Year of publication | 2018 |
| Journal volume | 3 |
| Journal issue | 4 |
| Pages of publication | x180623 |
| a | 12.1395 ± 0.0006 Å |
| b | 13.8587 ± 0.0007 Å |
| c | 17.366 ± 0.0007 Å |
| α | 85.994 ± 0.001° |
| β | 80.863 ± 0.001° |
| γ | 66.136 ± 0.001° |
| Cell volume | 2637.9 ± 0.2 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 10 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0319 |
| Weighted residual factors for significantly intense reflections | 0.0777 |
| Weighted residual factors for all reflections included in the refinement | 0.0798 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 207583 (current) | 2018-04-30 | cif/ hkl/ Adding structures of 1549352 via cif-deposit CGI script. |
1549352.cif 1549352.hkl |
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Users of the data should acknowledge the original authors of the
structural data.