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Information card for entry 7120856
Preview
| Coordinates | 7120856.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C74 H64 F12 Ir2 N8 O17 S4 |
|---|---|
| Calculated formula | C73.6667 H62 F11 Ir2 N8 O16 S3.66667 |
| Title of publication | Self-assembled [2]Catenane in Trapezodial Metallacycles with [Cp*Ir]-Corner |
| Authors of publication | Liu, Naifang; Huang, Shengli; Liu, Xiaogang; Luo, He-Kuan; Hor, T. S. Andy |
| Journal of publication | Chemical Communications |
| Year of publication | 2017 |
| a | 27.7386 ± 0.0006 Å |
| b | 27.7386 ± 0.0006 Å |
| c | 54.2411 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 36143.3 ± 1.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :H |
| Hall space group symbol | -R 3 |
| Residual factor for all reflections | 0.0729 |
| Residual factor for significantly intense reflections | 0.0631 |
| Weighted residual factors for significantly intense reflections | 0.1697 |
| Weighted residual factors for all reflections included in the refinement | 0.1825 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.955 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 202935 (current) | 2017-11-08 | cif/ Adding structures of 7120856 via cif-deposit CGI script. |
7120856.cif |
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