Information card for entry 2108650

Structure parameters

• Common name: dimethyl sulfoxide dihydrate
• Chemical name: hexadeutero-dimethyl sulfoxide dideuterate
• Formula: C2 D10 O3 S
• Calculated formula: C2 D10 O3 S
• Title of publication: On the crystal structures and phase transitions of hydrates in the binary dimethyl sulfoxide‒water system
• Authors of publication: Fortes, A. D.; Ponsonby, J.; Kirichek, O.; García-Sakai, V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2020
• Journal volume: 76
• Journal issue: 5
• a: 6.30238 ± 0.00004 Å
• b: 9.05654 ± 0.00005 Å
• c: 11.22025 ± 0.0001 Å
• α: 90°
• β: 105.969 ± 0.0005°
• γ: 90°
• Cell volume: 615.714 ± 0.008 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 175 K
• Ambient diffracton pressure: 10 kPa
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• RFsqd: 0.0735
• Goodness-of-fit parameter for all reflections: 1.7
• Method of determination: powder diffraction
• Diffraction radiation probe: neutron
• Diffraction radiation type: whitebeam
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No