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Information card for entry 1505081
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Jmol._Canvas2D (Jmol) "jmolApplet0"[x]
Coordinates | 1505081.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | Ehyleneoxide hydrate |
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Formula | C2.28 H19.9 O8.81 |
Calculated formula | C2.4 H20.6133 O8.86667 |
Title of publication | Structure, dynamics and ordering in structure i ether clathrate hydrates from single-crystal X-ray diffraction and 2H NMR spectroscopy. |
Authors of publication | Udachin, Konstantin A.; Ratcliffe, Christopher I.; Ripmeester, John A. |
Journal of publication | The journal of physical chemistry. B |
Year of publication | 2007 |
Journal volume | 111 |
Journal issue | 39 |
Pages of publication | 11366 - 11372 |
a | 11.9454 ± 0.0019 Å |
b | 11.9454 ± 0.0019 Å |
c | 11.9454 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1704.5 ± 0.5 Å3 |
Cell temperature | 173 ± 2 K |
Ambient diffraction temperature | 173 ± 2 K |
Number of distinct elements | 3 |
Space group number | 223 |
Hermann-Mauguin space group symbol | P m -3 n |
Hall space group symbol | -P 4n 2 3 |
Residual factor for all reflections | 0.0237 |
Residual factor for significantly intense reflections | 0.0125 |
Weighted residual factors for significantly intense reflections | 0.0349 |
Weighted residual factors for all reflections included in the refinement | 0.0456 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.58 |
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/1505081.html
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