Information card for entry 1505081

Structure parameters

• Common name: Ehyleneoxide hydrate
• 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 ų
• 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