Information card for entry 8102549

Structure parameters

• Chemical name: pentaaqua-tris(1,3,4-thiadiazole-2,5-diyldithio)diacetato -yttrium(III): [Y~2~(tzda)~3~(H~2~O)~5~]~n~
• Formula: C18 H22 N6 O17 S9 Y2
• Calculated formula: C18 H22 N6 O17 S9 Y2
• Title of publication: Crystal structure of pentaaqua-tris[(1,3,4-thiadiazole-2,5-diyldithio)diacetato]diyttrium(III), Y2(H2O)5(C6H12NO4S3)3
• Authors of publication: Yu-Ting Wang; Hui-Ling Li; Jian-Ge Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 4
• Pages of publication: 655
• a: 9.5713 ± 0.0009 Å
• b: 13.7001 ± 0.0013 Å
• c: 14.9315 ± 0.0014 Å
• α: 64.646 ± 0.001°
• β: 82.282 ± 0.001°
• γ: 81.089 ± 0.001°
• Cell volume: 1742.9 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 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 for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No