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Information card for entry 7043659
Preview
| Coordinates | 7043659.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C20 H54 Cl Cu4 N5 O24.5 P |
|---|---|
| Calculated formula | C20 H54 Cl Cu4 N5 O24.5 P |
| Title of publication | DOTA analogue with phosphinate-iminodiacetate pendant arm: modification of complex formation rate with a strongly chelating pendant |
| Authors of publication | Prochazkova, Sona; Kubicek, Vojtech; Bohmova, Zuzana; Holà, Katerina; Kotek, Jan; Hermann, Petr |
| Journal of publication | Dalton Trans. |
| Year of publication | 2017 |
| a | 12.0847 ± 0.0005 Å |
| b | 12.4493 ± 0.0005 Å |
| c | 12.9847 ± 0.0005 Å |
| α | 85.606 ± 0.002° |
| β | 78.603 ± 0.002° |
| γ | 86.931 ± 0.002° |
| Cell volume | 1907.87 ± 0.13 Å3 |
| Cell temperature | 150 ± 2 K |
| Ambient diffraction temperature | 150 ± 2 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 | 0.0489 |
| Residual factor for significantly intense reflections | 0.0404 |
| Weighted residual factors for significantly intense reflections | 0.0977 |
| Weighted residual factors for all reflections included in the refinement | 0.1042 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.125 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 198774 (current) | 2017-07-18 | cif/ Adding structures of 7043658, 7043659 via cif-deposit CGI script. |
7043659.cif |
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Users of the data should acknowledge the original authors of the
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