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Information card for entry 4108007
Preview
Coordinates | 4108007.cif |
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Original paper (by DOI) | HTML |
Formula | C66.5 H95 O12 P3 S4 W |
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Calculated formula | C66.5 H95 O12 P3 S4 W |
Title of publication | Mononuclear and Dinuclear Molybdenum and Tungsten Complexes of p-tert-Butyltetrathiacalix[4]arene and p-tert-Butyltetrasulfonylcalix[4]arene: Facile Cleavage of the Calixarene Ligand Framework by Nickel |
Authors of publication | Daniela Buccella; Gerard Parkin |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2008 |
Journal volume | 130 |
Pages of publication | 8617 - 8619 |
a | 13.6182 ± 0.0006 Å |
b | 15.7406 ± 0.0006 Å |
c | 17.2203 ± 0.0007 Å |
α | 84.063 ± 0.001° |
β | 73.404 ± 0.001° |
γ | 83.212 ± 0.001° |
Cell volume | 3503.3 ± 0.2 Å3 |
Cell temperature | 125 ± 2 K |
Ambient diffraction temperature | 125 ± 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 | 0.0256 |
Residual factor for significantly intense reflections | 0.0225 |
Weighted residual factors for significantly intense reflections | 0.0573 |
Weighted residual factors for all reflections included in the refinement | 0.0589 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
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/4108007.html
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