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Information card for entry 7047292
Preview
| Coordinates | 7047292.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C19 H45 Cl2 N4 O12 P |
|---|---|
| Calculated formula | C19 H45 Cl2 N4 O12 P |
| Title of publication | Lanthanide(iii) complexes of monophosphinate/monophosphonate DOTA-analogues: effects of the substituents on the formation rate and radiolabelling yield. |
| Authors of publication | Procházková, Soňa; Kubíček, Vojtěch; Kotek, Jan; Vágner, Adrienn; Notni, Johannes; Hermann, Petr |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2018 |
| Journal volume | 47 |
| Journal issue | 37 |
| Pages of publication | 13006 - 13015 |
| a | 22.0543 ± 0.0003 Å |
| b | 11.1979 ± 0.0001 Å |
| c | 24.5815 ± 0.0004 Å |
| α | 90° |
| β | 96.4613 ± 0.0008° |
| γ | 90° |
| Cell volume | 6032.13 ± 0.14 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 6 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.065 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for significantly intense reflections | 0.1291 |
| Weighted residual factors for all reflections included in the refinement | 0.1449 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.078 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| 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. |
7047292.cif |
| 229308 | 2019-11-17 | cif/ Updating files of 7047290, 7047291, 7047292 Original log message: Adding full bibliography for 7047290--7047292.cif. |
7047292.cif |
| 209894 | 2018-08-18 | cif/ Adding structures of 7047290, 7047291, 7047292 via cif-deposit CGI script. |
7047292.cif |
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Users of the data should acknowledge the original authors of the
structural data.