Information card for entry 2103688

Structure parameters

• Common name: Na2(1,5NDS).2H2O
• Chemical name: disodium 1,5-naphthalenedisulfonate hihydrate
• Formula: C10 H10 Na2 O8 S2
• Calculated formula: C10 H10 Na2 O8 S2
• SMILES: O=S(=O)(c1c2c(c(ccc2)S(=O)(=O)[O-])ccc1)[O-].O.[Na+].O.[Na+]
• Title of publication: Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate
• Authors of publication: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: 520 - 530
• a: 11.6398 ± 0.0017 Å
• b: 5.5507 ± 0.0008 Å
• c: 10.7148 ± 0.0016 Å
• α: 90°
• β: 96.187 ± 0.003°
• γ: 90°
• Cell volume: 688.24 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0344
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections included in the refinement: 0.0918
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes