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Information card for entry 4117064
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 4117064.cif |
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Original paper (by DOI) | HTML |
Common name | [(Bis-(tetrra-n-butylammonium))-hexa((η4-1,5-cyclooctadienyl)iridium)- tetratungstate 4-acetonitrile solvate] |
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Formula | C88 H156 Ir6 N6 O16 W4 |
Calculated formula | C88 H118.92 Ir6 N6 O16 W4 |
Title of publication | 2CH3CN@(n-Bu4N)2[{Ir(1,5-COD)}6W4O16].2CH3CN: A Hybrid Inorganic-Organometallic, Flexible Cavity Host, Acetonitrile-Guest Complex Composed of a [W4O4]n+ Tetratungstate Cube and Six Polyoxoanion-Supported (1,5-COD)Ir+ Organometallic Groups |
Authors of publication | Yoshihito Hayashi; Frank Müller; Yin Lin; Susie M. Miller; Oren P. Anderson; Richard G. Finke |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 1997 |
Journal volume | 119 |
Pages of publication | 11401 - 11407 |
a | 24.8856 ± 0.0006 Å |
b | 18.6662 ± 0.0005 Å |
c | 45.7427 ± 0.0012 Å |
α | 90° |
β | 93.545 ± 0.001° |
γ | 90° |
Cell volume | 21207.7 ± 0.9 Å3 |
Cell temperature | 159 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.1197 |
Residual factor for significantly intense reflections | 0.0655 |
Weighted residual factors for all reflections | 0.1811 |
Weighted residual factors for significantly intense reflections | 0.134 |
Goodness-of-fit parameter for all reflections | 1.048 |
Goodness-of-fit parameter for significantly intense reflections | 1.097 |
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/4117064.html
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Users of the data should acknowledge the original authors of the
structural data.