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Information card for entry 1571807
Preview
| Coordinates | 1571807.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate) |
|---|---|
| Formula | C63 H70 B2 Co N6 |
| Calculated formula | C63 H70 B2 Co N6 |
| Title of publication | Triacetonitrile(1,4,7-trimethyl-1,4,7-triazacyclononane)cobalt(II) bis(tetraphenylborate) |
| Authors of publication | Shin, Jeongcheol; Kim, Jin; Choi, Jonghoon |
| Journal of publication | IUCrData |
| Year of publication | 2024 |
| Journal volume | 9 |
| Journal issue | 6 |
| a | 18.1245 ± 0.0016 Å |
| b | 11.6689 ± 0.001 Å |
| c | 26.067 ± 0.002 Å |
| α | 90° |
| β | 90.332 ± 0.002° |
| γ | 90° |
| Cell volume | 5512.9 ± 0.8 Å3 |
| Cell temperature | 133 ± 2 K |
| Ambient diffraction temperature | 133 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.0897 |
| Residual factor for significantly intense reflections | 0.0562 |
| Weighted residual factors for significantly intense reflections | 0.0971 |
| Weighted residual factors for all reflections included in the refinement | 0.1069 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.142 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 292295 (current) | 2024-06-12 | cif/ Adding structures of 1571807 via cif-deposit CGI script. |
1571807.cif |
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Users of the data should acknowledge the original authors of the
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