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Information card for entry 7707806
Preview
Coordinates | 7707806.cif |
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Original paper (by DOI) | HTML |
Formula | C26 H49 Br0.5 Cl0.5 N8 Na O5 |
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Calculated formula | C26 H49 Br0.5 Cl0.5 N8 Na O5 |
Title of publication | Lanthanide complexes of DOTA-nitroxide conjugates for redox imaging: spectroelectrochemistry, CEST, relaxivity, and cytotoxicity. |
Authors of publication | Mouchel Dit Leguerrier, D.; Barré, R; Ruet, Q.; Imbert, D.; Philouze, C.; Fries, P. H.; Martel-Frachet, V; Molloy, J. K.; Thomas, F. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2021 |
Journal volume | 50 |
Journal issue | 31 |
Pages of publication | 10826 - 10837 |
a | 10.316 ± 0.002 Å |
b | 13.339 ± 0.003 Å |
c | 13.358 ± 0.003 Å |
α | 108.37 ± 0.03° |
β | 95.2 ± 0.03° |
γ | 97.87 ± 0.03° |
Cell volume | 1710.4 ± 0.7 Å3 |
Cell temperature | 200 K |
Ambient diffraction temperature | 200 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 | 0.0962 |
Residual factor for significantly intense reflections | 0.0741 |
Weighted residual factors for significantly intense reflections | 0.1995 |
Weighted residual factors for all reflections included in the refinement | 0.2201 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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