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Information card for entry 7240230
Preview
| Coordinates | 7240230.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C9 H9 O5.5 P1.25 Zn |
|---|---|
| Calculated formula | C9 H9 O5.5 P1.25 Zn |
| Title of publication | Flexible bifunctional monoethylphosphonate/carboxylates of Zn(II) and Co(II) reinforced with DABCO co-ligand: paradigmatic structural organization with pcu topology |
| Authors of publication | Goldman, Anna; Gil-Hernández, Beatriz; Millan, Simon; Gökpinar, Serkan; Heering, Christian; Boldog, Ishtvan; Janiak, Christoph |
| Journal of publication | CrystEngComm |
| Year of publication | 2020 |
| a | 21.4445 ± 0.0011 Å |
| b | 21.4445 ± 0.0011 Å |
| c | 9.3118 ± 0.0005 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 4282.2 ± 0.4 Å3 |
| Cell temperature | 260 ± 2 K |
| Ambient diffraction temperature | 260 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 139 |
| Hermann-Mauguin space group symbol | I 4/m m m |
| Hall space group symbol | -I 4 2 |
| Residual factor for all reflections | 0.0766 |
| Residual factor for significantly intense reflections | 0.0585 |
| Weighted residual factors for significantly intense reflections | 0.1666 |
| Weighted residual factors for all reflections included in the refinement | 0.1867 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.096 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249893 (current) | 2020-04-01 | cif/ Adding structures of 7240230, 7240231 via cif-deposit CGI script. |
7240230.cif |
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Users of the data should acknowledge the original authors of the
structural data.