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Information card for entry 7125479
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Coordinates | 7125479.cif |
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Original paper (by DOI) | HTML |
Common name | [La0.5Na0.5(H2O)8](H2O)4[(CH3CN)(CTV)][Co(C2B9H11)2]2 |
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Chemical name | octaaquolanthanum/sodium tetra(cyclotriveratrylene)tetrahydrate [cobalt(III)bis(dicarbollide)] acetonitrile clathrate |
Formula | C31 H50 B9 Co0.5 La0.13 N Na0.13 O9 |
Calculated formula | C31 H44 B9 Co0.5 La0.125 N Na0.125 O9 |
Title of publication | A 3,12-connected vertice sharing adamantoid hydrogen bonded network featuring tetrameric clusters of cyclotriveratrylene. |
Authors of publication | Hardie, M. J.; Raston, C. L.; Salinas, A. |
Journal of publication | Chemical communications (Cambridge, England) |
Year of publication | 2001 |
Journal issue | 18 |
Pages of publication | 1850 - 1851 |
a | 17.6914 ± 0.0003 Å |
b | 17.6914 ± 0.0003 Å |
c | 23.6592 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7405 ± 0.2 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 8 |
Space group number | 86 |
Hermann-Mauguin space group symbol | P 42/n :2 |
Hall space group symbol | -P 4bc |
Residual factor for all reflections | 0.113 |
Residual factor for significantly intense reflections | 0.0776 |
Weighted residual factors for significantly intense reflections | 0.2068 |
Weighted residual factors for all reflections included in the refinement | 0.2324 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
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/7125479.html
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