Information card for entry 2013346

Structure parameters

• Chemical name: catena-poly[tetraaquabis(thiosalicylate)barium(II)]
• Formula: C14 H18 Ba O8 S2
• Calculated formula: C14 H18 Ba O8 S2
• SMILES: [Ba+2].O.O.c1(ccccc1S)C(=O)[O-].O.c1(c(cccc1)S)C(=O)[O-].O
• Title of publication: A one-dimensional coordination polymer with metal‒metal interactions: <i>catena</i>-poly[[triaquabarium(II)]-μ-aqua-κ^2^<i>O</i>:<i>O</i>-di-μ-thiosalicylato-κ^4^<i>O</i>:<i>O</i>]
• Authors of publication: Lee, Bo-Hyung; Kim, Chong-Hyeak; Lee, Sueg-Geun
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m196 - m198
• a: 7.563 ± 0.003 Å
• b: 29.885 ± 0.003 Å
• c: 8.2254 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1859.1 ± 0.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0418
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1042
• Weighted residual factors for all reflections included in the refinement: 0.1125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.129
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes