Information card for entry 1529221

Structure parameters

• Chemical name: catena-bis(2-thiobarbiturato-O,S)-tetraaqua-strontium
• Formula: C8 H14 N4 O8 S2 Sr
• Calculated formula: C8 H14 N4 O8 S2 Sr
• Title of publication: Calcium and strontium thiobarbiturates with discrete and polymeric structures
• Authors of publication: Golovnev, Nicolay; Molokeev, Maxim; Vereshchagin, Sergey; Atuchin, Victor
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2013
• Journal volume: 66
• Journal issue: 23
• Pages of publication: 4119
• a: 12.9753 ± 0.0008 Å
• b: 7.2255 ± 0.0005 Å
• c: 16.4338 ± 0.001 Å
• α: 90°
• β: 94.883 ± 0.001°
• γ: 90°
• Cell volume: 1535.13 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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 for all reflections: 0.0567
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.0729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes