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Information card for entry 2242772
Preview
| Coordinates | 2242772.cif |
|---|---|
| Structure factors | 2242772.hkl |
| Original paper (by DOI) | HTML |
| Chemical name | poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)] |
|---|---|
| Formula | C12 H6 Br2 Cu2 Fe N8 |
| Calculated formula | C12 H6 Br2 Cu2 Fe N8 |
| Title of publication | Crystal structure of poly[bis(μ-2-bromopyrazine)tetra-μ~2~-cyanido-dicopper(I)iron(II)]: a bimetallic metal-organic framework |
| Authors of publication | Kucheriv, Olesia I.; Tokmenko, Inna I.; Matushko, Igor P.; Tsapyuk, Galyna G.; Gural'skiy, Il'ya A. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2018 |
| Journal volume | 74 |
| Journal issue | 12 |
| Pages of publication | 1895 - 1898 |
| a | 13.6143 ± 0.0017 Å |
| b | 9.3067 ± 0.0011 Å |
| c | 13.2101 ± 0.0015 Å |
| α | 90° |
| β | 92.369 ± 0.004° |
| γ | 90° |
| Cell volume | 1672.3 ± 0.3 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296.15 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0309 |
| Residual factor for significantly intense reflections | 0.0255 |
| Weighted residual factors for significantly intense reflections | 0.0604 |
| Weighted residual factors for all reflections included in the refinement | 0.0626 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.044 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 212317 (current) | 2018-12-04 | cif/ hkl/ Adding structures of 2242772 via cif-deposit CGI script. |
2242772.cif 2242772.hkl |
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Users of the data should acknowledge the original authors of the
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