Information card for entry 2103692

Structure parameters

• Common name: Sr(1,5NDS).H2O
• Chemical name: strontium 1,5-naphthalenedisulfonate monohydrate
• Formula: C10 H8 O7 S2 Sr
• Calculated formula: C10 H8 O7 S2 Sr
• SMILES: S(=O)(=O)(c1cccc2c(S(=O)(=O)[O-])cccc12)[O-].[Sr+2].O
• 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: 9.5424 ± 0.0011 Å
• b: 21.705 ± 0.002 Å
• c: 5.8137 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0295
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes