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Information card for entry 2006263
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Coordinates | 2006263.cif |
---|---|
Original IUCr paper | HTML |
Formula | C10 H20 I8 S4 |
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Calculated formula | C10 H20 I8 S4 |
SMILES | C1CSCCSCCCSCCSC1.II.II.II.II |
Title of publication | 1,4,8,11-Tetrakis(diiodine)-1,4,8,11-tetrathiacyclotetradecane |
Authors of publication | Blake, Alexander J.; Li, Wan-Sheung; Lippolis, Vito; Schröder, Martin |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 1997 |
Journal volume | 53 |
Journal issue | 7 |
Pages of publication | 886 - 888 |
a | 8.3549 ± 0.0011 Å |
b | 9.1092 ± 0.0014 Å |
c | 10.29 ± 0.002 Å |
α | 64.196 ± 0.016° |
β | 77.525 ± 0.014° |
γ | 82.951 ± 0.011° |
Cell volume | 688 ± 0.2 Å3 |
Cell temperature | 150 ± 0.2 K |
Ambient diffraction temperature | 150 ± 0.2 K |
Number of distinct elements | 4 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0396 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for all reflections | 0.0689 |
Weighted residual factors for significantly intense reflections | 0.0631 |
Goodness-of-fit parameter for all reflections | 1.156 |
Goodness-of-fit parameter for significantly intense reflections | 1.13 |
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/2006263.html
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Users of the data should acknowledge the original authors of the
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