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Information card for entry 7044005
Preview
Coordinates | 7044005.cif |
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Original paper (by DOI) | HTML |
Formula | C40 H56.29 La2.5 N8 Na0.5 O26.15 |
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Calculated formula | C40 H56.2966 La2.5 N8 Na0.5 O26.1483 |
Title of publication | H4octapa: Synthesis, Solution Equilibria and Complexes with Useful Radiopharmaceutical Metal Ions |
Authors of publication | Jaraquemada-Peláez, María de Guadalupe; Wang, Xiaozhu; Clough, Thomas J.; Cao, Yang; Choudhary, Neha; Emler, Kirsten; Patrick, Brian O.; Orvig, Chris |
Journal of publication | Dalton Trans. |
Year of publication | 2017 |
a | 8.703 ± 0.003 Å |
b | 16.076 ± 0.006 Å |
c | 20.536 ± 0.007 Å |
α | 82.406 ± 0.005° |
β | 84.822 ± 0.005° |
γ | 90.092 ± 0.004° |
Cell volume | 2836.1 ± 1.7 Å3 |
Cell temperature | 90 ± 2 K |
Ambient diffraction temperature | 90 ± 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 | 0.0914 |
Residual factor for significantly intense reflections | 0.0786 |
Weighted residual factors for significantly intense reflections | 0.2064 |
Weighted residual factors for all reflections included in the refinement | 0.213 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.082 |
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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The link is: https://www.crystallography.net/7044005.html
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