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Information card for entry 7702686
Preview
| Coordinates | 7702686.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20.5 H17 B Mn N6 O3 Tl |
|---|---|
| Calculated formula | C20.5 H17 B Mn N6 O3 Tl |
| Title of publication | Tl(i) complexes of cymantrene-based tris(1-pyrazolyl)borates: polymers and macrocycles |
| Authors of publication | Guo, ShengLi; Bats, Jan W.; Bolte, Michael; Wagner, Matthias |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 24 |
| Pages of publication | 3572 |
| a | 10.2126 ± 0.0008 Å |
| b | 9.6558 ± 0.0005 Å |
| c | 22.902 ± 0.002 Å |
| α | 90° |
| β | 94.674 ± 0.005° |
| γ | 90° |
| Cell volume | 2250.9 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 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 | 0.0426 |
| Residual factor for significantly intense reflections | 0.0322 |
| Weighted residual factors for significantly intense reflections | 0.0574 |
| Weighted residual factors for all reflections included in the refinement | 0.0603 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.149 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 243951 (current) | 2019-11-28 | cif/ Adding structures of 7702686, 7702687 via cif-deposit CGI script. |
7702686.cif |
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Users of the data should acknowledge the original authors of the
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