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Information card for entry 8106219
Preview
| Coordinates | 8106219.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C36 H46 Cu N6 O12 |
|---|---|
| Calculated formula | C36 H46 Cu N6 O12 |
| Title of publication | Crystal structure of catena-poly[bis(μ2-1,4-bis(triazol-1-ylmethyl)benzene-κ2 N:N′)-bis(5-tert-butyl-isophthalate-κO)copper(II)]tetrahydrate, C36H46CuN6O12 |
| Authors of publication | Zhao, Ying; Wang, San-Tai |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2018 |
| Journal volume | 233 |
| Journal issue | 4 |
| Pages of publication | 569 - 570 |
| a | 8.3759 ± 0.0018 Å |
| b | 10.749 ± 0.002 Å |
| c | 11.873 ± 0.003 Å |
| α | 63.165 ± 0.002° |
| β | 82.979 ± 0.002° |
| γ | 80.932 ± 0.002° |
| Cell volume | 940.3 ± 0.4 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0687 |
| Residual factor for significantly intense reflections | 0.046 |
| Weighted residual factors for significantly intense reflections | 0.0994 |
| Weighted residual factors for all reflections included in the refinement | 0.1107 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.025 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 279500 (current) | 2022-11-23 | cif/ Adding structures of 8106219 via cif-deposit CGI script. |
8106219.cif |
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Users of the data should acknowledge the original authors of the
structural data.