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Information card for entry 2022088
Preview
| Coordinates | 2022088.cif |
|---|---|
| Structure factors | 2022088.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[bis{μ~3~-4-[(4-carboxy-3-carboxylatophenyl)dimethylsilyl]benzene-1,2-dicarboxylato-κ^3^<i>O</i>^1^:<i>O</i>^2^:<i>O</i>^3'^}-tris(1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)trinickel(II)] methanol tetrasolvate] |
|---|---|
| Formula | C70 H114 N12 Ni3 O20 Si2 |
| Calculated formula | C70 H114 N12 Ni3 O20 Si2 |
| Title of publication | A 2D coordination polymer assembled from a nickel(II) tetraazamacrocyclic cation and 4,4'-(dimethylsilanediyl)diphthalate(3‒) linker |
| Authors of publication | Gavrish, Sergey P.; Shova, Sergiu; Cazacu, Maria; Lampeka, Yaroslaw D. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2020 |
| Journal volume | 76 |
| Journal issue | 5 |
| a | 13.54 ± 0.0007 Å |
| b | 14.0473 ± 0.0006 Å |
| c | 22.0478 ± 0.0012 Å |
| α | 90° |
| β | 102.895 ± 0.005° |
| γ | 90° |
| Cell volume | 4087.7 ± 0.4 Å3 |
| Cell temperature | 160 ± 2 K |
| Ambient diffraction temperature | 160 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.1134 |
| Residual factor for significantly intense reflections | 0.0683 |
| Weighted residual factors for significantly intense reflections | 0.1138 |
| Weighted residual factors for all reflections included in the refinement | 0.1295 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.047 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 250977 (current) | 2020-04-21 | cif/ hkl/ Adding structures of 2022088 via cif-deposit CGI script. |
2022088.cif 2022088.hkl |
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Users of the data should acknowledge the original authors of the
structural data.