Information card for entry 2020742

Structure parameters

• Common name: bis(4-arsonoanilinium) tetrachlorocuprate(II)
• Chemical name: Poly[bis(4-arsonoanilinium) [tetra-μ-chlorido-cuprate(II)]]
• Formula: C12 H18 As2 Cl4 Cu N2 O6
• Calculated formula: C12 H18 As2 Cl4 Cu N2 O6
• SMILES: c1(ccc(cc1)[NH3+])[As](O)(=O)O.Cl[Cu](Cl)([Cl-])[Cl-].c1(ccc(cc1)[NH3+])[As](O)(=O)O
• Title of publication: Unusual 4-arsonoanilinium cationic species in the hydrochloride salt of (4-aminophenyl)arsonic acid and formed in the reaction of the acid with copper(II) sulfate, copper(II) chloride and cadmium chloride
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2017
• Journal volume: 73
• Journal issue: 4
• a: 7.6315 ± 0.0004 Å
• b: 7.1244 ± 0.0004 Å
• c: 38.0925 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2071.08 ± 0.18 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0428
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.0897
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes