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Information card for entry 4108370
Preview
Coordinates | 4108370.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H50 N2 O1.5 S3.5 W |
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Calculated formula | C26 H52 N2 O1.5 S3.5 W |
Title of publication | A Biomimetic Approach to Oxidized Sites in the Xanthine Oxidoreductase Family: Synthesis and Stereochemistry of Tungsten(VI) Analogue Complexes |
Authors of publication | Stanislav Groysman; Jun-Jieh Wang; Ranitendranath Tagore; Sonny C. Lee; Richard H. Holm |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 12794 - 12807 |
a | 21.347 ± 0.004 Å |
b | 9.5082 ± 0.0017 Å |
c | 16.045 ± 0.003 Å |
α | 90° |
β | 109.008 ± 0.003° |
γ | 90° |
Cell volume | 3079.1 ± 1 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 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 | 0.0505 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0826 |
Weighted residual factors for all reflections included in the refinement | 0.0897 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.017 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4108370.html
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