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Information card for entry 4311635
Preview
Coordinates | 4311635.cif |
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Original paper (by DOI) | HTML |
Formula | C28 H32 In N5 O10 |
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Calculated formula | C28 H32 In N5 O10 |
SMILES | [In]1234567[O]=C(NCc8ccccc8)C[N]5(CC[N]6(CC[N]7(CC(NCc5ccccc5)=[O]1)CC(=O)O4)CC(O3)=O)CC(=O)O2.O.O |
Title of publication | Synthesis, Characterization, and Structures of Indium In(DTPA-BA2) and Yttrium Y(DTPA-BA2)(CH3OH) Complexes (BA = Benzylamine): Models for 111In- and 90Y-Labeled DTPA-Biomolecule Conjugates |
Authors of publication | Wen-Yuan Hsieh; Shuang Liu |
Journal of publication | Inorganic Chemistry |
Year of publication | 2004 |
Journal volume | 43 |
Pages of publication | 6006 - 6014 |
a | 17.9189 ± 0.0003 Å |
b | 15.5385 ± 0.0003 Å |
c | 29.5594 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 8230.3 ± 0.3 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 5 |
Space group number | 60 |
Hermann-Mauguin space group symbol | P b c n |
Hall space group symbol | -P 2n 2ab |
Residual factor for all reflections | 0.092 |
Residual factor for significantly intense reflections | 0.049 |
Weighted residual factors for significantly intense reflections | 0.142 |
Weighted residual factors for all reflections included in the refinement | 0.15 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.956 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MO-Kα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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