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Information card for entry 4316715
Preview
Coordinates | 4316715.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H18 B Cu F4 N8 S |
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Calculated formula | C15 H18 B Cu F4 N8 S |
SMILES | [Cu]12([S]=c3n(C)ccn3C)[n]3n(ccc3)C(n3[n]1ccc3)n1[n]2ccc1.[B](F)(F)(F)[F-] |
Title of publication | Probing the Antioxidant Action of Selenium and Sulfur Using Cu(I)-Chalcogenone Tris(pyrazolyl)methane and -borate Complexes |
Authors of publication | Martin M. Kimani; Julia L. Brumaghim; Don VanDerveer |
Journal of publication | Inorganic Chemistry |
Year of publication | 2010 |
Journal volume | 49 |
Pages of publication | 9200 - 9211 |
a | 9.7241 ± 0.0019 Å |
b | 11.335 ± 0.002 Å |
c | 18.262 ± 0.004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2012.9 ± 0.7 Å3 |
Cell temperature | 158.2 K |
Ambient diffraction temperature | 158.2 K |
Number of distinct elements | 7 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0388 |
Residual factor for significantly intense reflections | 0.0354 |
Weighted residual factors for significantly intense reflections | 0.0845 |
Weighted residual factors for all reflections included in the refinement | 0.0872 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.137 |
Diffraction radiation probe | x-ray |
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/4316715.html
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