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Information card for entry 7048378
Preview
| Coordinates | 7048378.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C28 H44 B2 F8 N8 Pd |
|---|---|
| Calculated formula | C28 H44 B2 F8 N8 Pd |
| Title of publication | Control over coordination self-assembly of flexible, multidentate ligands by stepwise metal coordination of isopyrazole subunits. |
| Authors of publication | Ashida, Yoshiko; Manabe, Yumehiro; Yoshioka, Shota; Yoneda, Tomoki; Inokuma, Yasuhide |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2019 |
| Journal volume | 48 |
| Journal issue | 3 |
| Pages of publication | 818 - 822 |
| a | 6.5374 ± 0.0002 Å |
| b | 12.258 ± 0.0003 Å |
| c | 21.5616 ± 0.0005 Å |
| α | 88.574 ± 0.002° |
| β | 85.328 ± 0.002° |
| γ | 85.018 ± 0.002° |
| Cell volume | 1715.33 ± 0.08 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0402 |
| Residual factor for significantly intense reflections | 0.0318 |
| Weighted residual factors for significantly intense reflections | 0.0796 |
| Weighted residual factors for all reflections included in the refinement | 0.0827 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301850 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/04/ Each referenced PubChem compound corresponds to the full crystal structure. |
7048378.cif |
| 224578 | 2019-11-08 | cif/ Updating files of 7048378, 7048379, 7048380, 7048381 Original log message: Adding full bibliography for 7048378--7048381.cif. |
7048378.cif |
| 212644 | 2018-12-19 | cif/ Adding structures of 7048378, 7048379, 7048380, 7048381 via cif-deposit CGI script. |
7048378.cif |
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Users of the data should acknowledge the original authors of the
structural data.