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Information card for entry 1568782
Preview
| Coordinates | 1568782.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C51 H47 N9 O14 Zn |
|---|---|
| Calculated formula | C51 H47 N9 O14 Zn |
| Title of publication | Supramolecular Structure of Tris(1,10-phenanthroline)zinc(II)-Cation and N,N′,N″-tris(carboxymethyl)-1,3,5-benzenetricarboxamide-Anion: Synthesis, Crystal Structure, Vibrational Spectra, and Theoretical Investigations |
| Authors of publication | Pook, Niels-Patrick |
| Journal of publication | Crystals |
| Year of publication | 2023 |
| Journal volume | 13 |
| Journal issue | 4 |
| Pages of publication | 569 |
| a | 14.6426 ± 0.0007 Å |
| b | 20.0946 ± 0.0013 Å |
| c | 32.345 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 9517.1 ± 1 Å3 |
| Cell temperature | 223 ± 2 K |
| Ambient diffraction temperature | 223 K |
| Number of distinct elements | 5 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.1277 |
| Residual factor for significantly intense reflections | 0.0536 |
| Weighted residual factors for significantly intense reflections | 0.0948 |
| Weighted residual factors for all reflections included in the refinement | 0.1162 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.908 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 282348 (current) | 2023-04-04 | cif/ Adding structures of 1568782 via cif-deposit CGI script. |
1568782.cif |
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