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Information card for entry 7241075
Preview
| Coordinates | 7241075.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C45 H47 Mg3 N5 O17 S6 |
|---|---|
| Calculated formula | C44.9994 H46.9986 Mg3 N4.9998 O17 S6 |
| Title of publication | Topological polymorphism and temperature-driven topotactical transitions of metal-organic coordination polymers |
| Authors of publication | Dubskikh, Vadim A.; Lysova , Anna; Samsonenko, Denis G.; Dybtsev, Danil N.; Fedin, Vladimir P. |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 9.7723 ± 0.0006 Å |
| b | 12.896 ± 0.0009 Å |
| c | 13.7128 ± 0.001 Å |
| α | 104.309 ± 0.006° |
| β | 109.946 ± 0.006° |
| γ | 96.773 ± 0.005° |
| Cell volume | 1534.8 ± 0.2 Å3 |
| Cell temperature | 140 ± 2 K |
| Ambient diffraction temperature | 140 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0602 |
| Weighted residual factors for significantly intense reflections | 0.1816 |
| Weighted residual factors for all reflections included in the refinement | 0.1868 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.088 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 255434 (current) | 2020-08-19 | cif/ Adding structures of 7241075, 7241076 via cif-deposit CGI script. |
7241075.cif |
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Users of the data should acknowledge the original authors of the
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