Information card for entry 2220205

Structure parameters

• Chemical name: Hexaaquacadmium(II) 2,2'-(azinodimethylidyne)dibenzenesulfonate dihydrate
• Formula: C14 H26 Cd N2 O14 S2
• Calculated formula: C14 H26 Cd N2 O14 S2
• SMILES: c1c(C=NN=Cc2c(cccc2)S(=O)(=O)[O-])c(ccc1)S(=O)(=O)[O-].[OH2][Cd]([OH2])([OH2])([OH2])([OH2])[OH2].O.O
• Title of publication: Hexaaquacadmium(II) 2,2'-(azinodimethylidyne)dibenzenesulfonate dihydrate
• Authors of publication: Du, Lian-Cai
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: m1625
• a: 7.8329 ± 0.0011 Å
• b: 7.9824 ± 0.0012 Å
• c: 10.101 ± 0.0015 Å
• α: 92.723 ± 0.001°
• β: 102.076 ± 0.002°
• γ: 105.924 ± 0.002°
• Cell volume: 590.19 ± 0.15 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0254
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes