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Information card for entry 2312745
Preview
| Coordinates | 2312745.cif |
|---|---|
| Structure factors | 2312745.hkl |
| Original IUCr paper | HTML |
| Chemical name | Aquabis{2-[(naphthalen-2-ylmethyl)amino]-3-phenylpropanoato-κ<i>O</i>}zinc(II) |
|---|---|
| Formula | C40 H38 N2 O5 Zn |
| Calculated formula | C40 H38 N2 O5 Zn |
| Title of publication | Conformational versatility among crystalline solids of L-phenylalanine derivatives. |
| Authors of publication | Movilla, Federico; Rey, Juan Manuel; López Borda, María Del Rosario; Di Salvo, Florencia |
| Journal of publication | Acta crystallographica. Section C, Structural chemistry |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 2 |
| a | 11.56 ± 0.011 Å |
| b | 7.91 ± 0.0012 Å |
| c | 36.46 ± 0.014 Å |
| α | 90° |
| β | 95.156 ± 0.014° |
| γ | 90° |
| Cell volume | 3320 ± 3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 5 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0336 |
| Residual factor for significantly intense reflections | 0.0327 |
| Weighted residual factors for significantly intense reflections | 0.0853 |
| Weighted residual factors for all reflections included in the refinement | 0.0858 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.072 |
| Diffraction radiation wavelength | 0.67019 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 297468 (current) | 2025-01-25 | cif/ hkl/ Adding structures of 2312742, 2312743, 2312744, 2312745 via cif-deposit CGI script. |
2312745.cif 2312745.hkl |
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Users of the data should acknowledge the original authors of the
structural data.