Information card for entry 4031305

Structure parameters

• Chemical name: Catena-bis(2-thiobarbiturato-O,S)-diaqua-cadmium
• Formula: C8 H6 Cd N4 O6 S2
• Calculated formula: C8 H6 Cd N4 O6 S2
• Title of publication: Crystal structure of catena-Bis(2-thiobarbiturato-O,S)diaquacadmium
• Authors of publication: Golovnev, Nikolay; Molokeev, Maxim
• Journal of publication: Russian Journal of Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 58
• Journal issue: 10
• Pages of publication: 1193
• a: 6.94329 ± 0.00033 Å
• b: 7.22572 ± 0.00034 Å
• c: 7.40473 ± 0.00031 Å
• α: 88.5586 ± 0.0016°
• β: 75.3464 ± 0.0018°
• γ: 111.687 ± 0.0013°
• Cell volume: 331.05 ± 0.03 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor R(I) for significantly intense reflections: 1.387
• Goodness-of-fit parameter for all reflections included in the refinement: 2.578
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~~2~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes