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Information card for entry 7101495
Preview
Coordinates | 7101495.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C9 H19 Br N3 O4 Re |
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Calculated formula | C9 H19 Br N3 O4 Re |
SMILES | [Br-].C1C2(C[NH2][Re](C#[O])(C#[O])(C#[O])([NH2]1)[NH2]C2)C.CO |
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 | 6.7916 ± 0.0009 Å |
b | 13.0578 ± 0.0016 Å |
c | 17.449 ± 0.002 Å |
α | 90° |
β | 98.273 ± 0.002° |
γ | 90° |
Cell volume | 1531.4 ± 0.3 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 | 0.0674 |
Residual factor for significantly intense reflections | 0.058 |
Weighted residual factors for significantly intense reflections | 0.1528 |
Weighted residual factors for all reflections included in the refinement | 0.158 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7101495.html
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Users of the data should acknowledge the original authors of the
structural data.