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Information card for entry 4106149
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Coordinates | 4106149.cif |
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Original paper (by DOI) | HTML |
Common name | TAM(ophen-1,2-HOPO)2, uranly complex |
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Formula | C58.7 H83.7 N8 O21.85 S0.15 U |
Calculated formula | C58.692 H60 N8 O21.846 S0.154 U |
Title of publication | Hexadentate Terephthalamide(bis-hydroxypyridinone) Ligands for Uranyl Chelation: Structural and Thermodynamic Consequences of Ligand Variation(1) |
Authors of publication | Géza Szigethy; Kenneth N. Raymond |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 7942 - 7956 |
a | 9.7996 ± 0.0014 Å |
b | 17.047 ± 0.002 Å |
c | 19.03 ± 0.003 Å |
α | 102.075 ± 0.002° |
β | 95.478 ± 0.003° |
γ | 91.56 ± 0.003° |
Cell volume | 3090.9 ± 0.8 Å3 |
Cell temperature | 154 ± 2 K |
Ambient diffraction temperature | 154 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0753 |
Residual factor for significantly intense reflections | 0.0538 |
Weighted residual factors for significantly intense reflections | 0.1268 |
Weighted residual factors for all reflections included in the refinement | 0.1364 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.029 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4106149.html
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