Information card for entry 2205297

Structure parameters

• Chemical name: poly[[diaquabarium(II)]-μ~6~-1,5-naphthalenedisulfonato]
• Formula: C10 H10 Ba O8 S2
• Calculated formula: C10 H10 Ba O8 S2
• SMILES: c1(cccc2c(cccc12)S(=O)(=O)[O-])S(=O)(=O)[O-].[Ba+2].O.O
• Title of publication: Polymeric diaqua(μ~6~-1,5-naphthalenedisulfonato)barium(II)
• Authors of publication: Gao, Shan; Zhu, Zhi-Biao; Huo, Li-Hua; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 3
• Pages of publication: m528 - m530
• a: 22.274 ± 0.004 Å
• b: 5.715 ± 0.001 Å
• c: 10.443 ± 0.002 Å
• α: 90°
• β: 92.56 ± 0.03°
• γ: 90°
• Cell volume: 1328 ± 0.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.065
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes