Information card for entry 1546382

Structure parameters

• Chemical name: [tetrakis(mu~2~-thiobarbiturato-O,O')- bis(thiobarbiturato-O)-hexaaqua-disamarium]
• Formula: C12 H15 N6 O9 S3 Sm
• Calculated formula: C12 H15 N6 O9 S3 Sm
• Title of publication: Crystal structure and properties of polymeric hexaaqua-hexakis- (2-thiobarbiturato)-disamarium(III)
• Authors of publication: N.N. Golovnev; M.S. Molokeev; I.V. Sterkhova; S.N. Vereshchagin; I.I. Golovneva
• Journal of publication: Journal of Structural Chemistry
• Year of publication: 2017
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 539 - 543
• a: 14.0717 ± 0.001 Å
• b: 10.0842 ± 0.0006 Å
• c: 15.323 ± 0.0011 Å
• α: 90°
• β: 110.408 ± 0.002°
• γ: 90°
• Cell volume: 2037.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0235
• Weighted residual factors for significantly intense reflections: 0.0504
• Weighted residual factors for all reflections included in the refinement: 0.0533
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No