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Information card for entry 7240231
Preview
| Coordinates | 7240231.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C29 H42 N3 O12 P2 Zn2 |
|---|---|
| Calculated formula | C29 H42 N3 O12 P2 Zn2 |
| 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 | 19.912 ± 0.004 Å |
| b | 19.912 ± 0.004 Å |
| c | 9.5338 ± 0.0017 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3780 ± 1.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 87 |
| Hermann-Mauguin space group symbol | I 4/m |
| Hall space group symbol | -I 4 |
| Residual factor for all reflections | 0.1102 |
| Residual factor for significantly intense reflections | 0.0748 |
| Weighted residual factors for significantly intense reflections | 0.2041 |
| Weighted residual factors for all reflections included in the refinement | 0.2229 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 249893 (current) | 2020-04-01 | cif/ Adding structures of 7240230, 7240231 via cif-deposit CGI script. |
7240231.cif |
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Users of the data should acknowledge the original authors of the
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