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Information card for entry 2023018
Preview
| Coordinates | 2023018.cif |
|---|---|
| Structure factors | 2023018.hkl |
| Original IUCr paper | HTML |
| Chemical name | Poly[[triaquabis(μ~4~-phthalato)(μ~3~-pyridine-2,5-dicarboxylato)dipraseodymium] monohydrate] |
|---|---|
| Formula | C23 H19 N O16 Pr2 |
| Calculated formula | C23 H19 N O16 Pr2 |
| Title of publication | Crystal structure and characterization of a new lanthanide coordination polymer, [Pr<sub>2</sub>(pydc)(phth)<sub>2</sub>(H<sub>2</sub>O)<sub>3</sub>]·H<sub>2</sub>O. |
| Authors of publication | Yotnoi, Bunlawee; Rujiwatra, Apinpus |
| Journal of publication | Acta crystallographica. Section E, Crystallographic communications |
| Year of publication | 2024 |
| Journal volume | 80 |
| Journal issue | Pt 2 |
| Pages of publication | 228 - 231 |
| a | 27.4898 ± 0.0004 Å |
| b | 5.9436 ± 0.0001 Å |
| c | 32.0473 ± 0.0005 Å |
| α | 90° |
| β | 93.854 ± 0.001° |
| γ | 90° |
| Cell volume | 5224.32 ± 0.14 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | I 1 2/a 1 |
| Hall space group symbol | -I 2ya |
| Residual factor for all reflections | 0.0361 |
| Residual factor for significantly intense reflections | 0.0314 |
| Weighted residual factors for significantly intense reflections | 0.0778 |
| Weighted residual factors for all reflections included in the refinement | 0.0807 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 290327 (current) | 2024-03-05 | cif/ Updating files of 2023018 Original log message: Adding full bibliography for 2023018.cif. |
2023018.cif 2023018.hkl |
| 289255 | 2024-02-01 | cif/ hkl/ Adding structures of 2023018 via cif-deposit CGI script. |
2023018.cif 2023018.hkl |
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Users of the data should acknowledge the original authors of the
structural data.