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Information card for entry 4302723
Preview
Coordinates | 4302723.cif |
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Original paper (by DOI) | HTML |
Formula | C23 H46.3 Cl3 Eu N9 O20.65 |
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Calculated formula | C23 H39 Cl2.999 Eu N9 O20.646 |
Title of publication | Lanthanide Complexes of Triethylenetetramine Tetra-, Penta-, and Hexaacetamide Ligands as Paramagnetic Chemical Exchange-Dependent Saturation Transfer Contrast Agents for Magnetic Resonance Imaging: Nona- versus Decadentate Coordination |
Authors of publication | Dirk Burdinski; Jeroen A. Pikkemaat; Johan Lub; Peter de Peinder; Lidia Nieto Garrido; Thomas Weyhermüller |
Journal of publication | Inorganic Chemistry |
Year of publication | 2009 |
Journal volume | 48 |
Pages of publication | 6692 - 6712 |
a | 16.0701 ± 0.0006 Å |
b | 18.791 ± 0.0006 Å |
c | 13.093 ± 0.0004 Å |
α | 90° |
β | 98.482 ± 0.003° |
γ | 90° |
Cell volume | 3910.5 ± 0.2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.073 |
Residual factor for significantly intense reflections | 0.0611 |
Weighted residual factors for significantly intense reflections | 0.1284 |
Weighted residual factors for all reflections included in the refinement | 0.1338 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.12 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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