Information card for entry 4031304

Structure parameters

• Chemical name: Catena-bis(2-thiobarbiturato)-tetraaqua-strontium monohydrate
• Formula: C8 H6 N4 O9 S2 Sr
• Calculated formula: C8 H6 N4 O9 S2 Sr
• Title of publication: Structures of bis(2-thiobarbiturato-O)tetraaquamagnesium and catena-[(mu2-2-thiobarbiturato-O,O)(2-thiobarbiturato-O) bis(mu2-aqua)diaquastrontium] monohydrate
• Authors of publication: Golovnev, Nikolay; Molokeev, Maxim
• Journal of publication: Russian Journal of Inorganic Chemistry
• Year of publication: 2014
• Journal volume: 59
• Journal issue: 2
• Pages of publication: 72
• a: 20.84994 ± 0.00044 Å
• b: 19.26486 ± 0.00047 Å
• c: 4.140067 ± 0.000089 Å
• α: 90°
• β: 92.0225 ± 0.0015°
• γ: 90°
• Cell volume: 1661.91 ± 0.06 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 2.087
• Goodness-of-fit parameter for all reflections included in the refinement: 4.806
• 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