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Information card for entry 7101494
Preview
Coordinates | 7101494.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C13 H9 N6 O6 Re S |
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Calculated formula | C13 H9 N6 O6 Re S |
SMILES | c1cc[n]2C3([n]4ccc[n]4[Re](C#[O])(C#[O])(C#[O])([n]12)[n]1ccc[n]31)S(=O)(=O)[O-] |
Title of publication | Aqueous preparation and physiological stability studies of Re(CO)3(tripodal) compounds |
Authors of publication | Richard S. Herrick; Tim J. Brunker; Caroline Maus; Kerianne Crandall; Anil Cetin; Christopher J. Ziegler |
Journal of publication | Chemical Communications |
Year of publication | 2006 |
Journal issue | 41 |
a | 8.8316 ± 0.0017 Å |
b | 8.9876 ± 0.0017 Å |
c | 20.941 ± 0.004 Å |
α | 90° |
β | 96.909 ± 0.003° |
γ | 90° |
Cell volume | 1650.1 ± 0.5 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/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0519 |
Residual factor for significantly intense reflections | 0.0399 |
Weighted residual factors for significantly intense reflections | 0.0748 |
Weighted residual factors for all reflections included in the refinement | 0.0785 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.05 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7101494.html
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