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Information card for entry 1556842
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1556842.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C0.58 Na0.02 O4.53 Si2.27 |
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Calculated formula | C0.725333 O4.53333 Si2.26667 |
Title of publication | The hydrocarbon-bearing clathrasil chibaite and its host-guest structure at low temperature. |
Authors of publication | Scheidl, K. S.; Effenberger, H. S.; Yagi, T.; Momma, K.; Miletich, Ronald |
Journal of publication | IUCrJ |
Year of publication | 2018 |
Journal volume | 5 |
Journal issue | Pt 5 |
Pages of publication | 595 - 607 |
a | 23.7054 ± 0.0002 Å |
b | 13.6861 ± 0.0011 Å |
c | 23.7051 ± 0.0002 Å |
α | 90° |
β | 109.47° |
γ | 90 ± 0.03° |
Cell volume | 7251 ± 0.6 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | A 1 2/n 1 |
Hall space group symbol | -A 2yab |
Residual factor for all reflections | 0.1387 |
Residual factor for significantly intense reflections | 0.0706 |
Weighted residual factors for significantly intense reflections | 0.1768 |
Weighted residual factors for all reflections included in the refinement | 0.1991 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.896 |
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/1556842.html
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Users of the data should acknowledge the original authors of the
structural data.