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Information card for entry 7039035
Preview
| Coordinates | 7039035.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C132 H100 B4 F16 N20 O8 Pd2 |
|---|---|
| Calculated formula | C132 H100 B4 F16 N20 O8 Pd2 |
| Title of publication | Supramolecular exo-functionalized palladium cages: fluorescent properties and biological activity. |
| Authors of publication | Schmidt, Andrea; Hollering, Manuela; Drees, Markus; Casini, Angela; Kühn, Fritz E |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2016 |
| Journal volume | 45 |
| Journal issue | 20 |
| Pages of publication | 8556 - 8565 |
| a | 15.1234 ± 0.001 Å |
| b | 16.0574 ± 0.001 Å |
| c | 19.3244 ± 0.0012 Å |
| α | 96.26 ± 0.003° |
| β | 106.117 ± 0.003° |
| γ | 111.79 ± 0.003° |
| Cell volume | 4066.2 ± 0.5 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.0573 |
| Weighted residual factors for significantly intense reflections | 0.1544 |
| Weighted residual factors for all reflections included in the refinement | 0.1605 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.081 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301849 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 7/03/ Each referenced PubChem compound corresponds to the full crystal structure. |
7039035.cif |
| 211179 | 2018-09-26 | cif/ Removing the _chemical_formula_sum data item from 427 entries since the values consisted only of white spaces. |
7039035.cif |
| 185411 | 2016-08-07 | cif/ Updating files of 7039035 Original log message: Adding full bibliography for 7039035.cif. |
7039035.cif |
| 182168 | 2016-04-16 | cif/ Adding structures of 7039035 via cif-deposit CGI script. |
7039035.cif |
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Users of the data should acknowledge the original authors of the
structural data.