Information card for entry 7236188

Structure parameters

• Formula: C12 H12 Cu N2 O6 S
• Calculated formula: C12 H12 Cu N2 O6 S
• Title of publication: Poly[diaquo(1,10-phenanthroline-κ2N1:N10)(μ2-sulphato-κ2O:O′)copper(ii)]: hydrothermal synthesis, crystal structure and magnetic properties
• Authors of publication: Kamath, Amarjit; Mishra, Dipu Kumar; Brahman, Dhiraj; Pilet, Guillaume; Sinha, Biswajit; Tamang, Abiral
• Journal of publication: RSC Advances
• Year of publication: 2016
• Journal volume: 6
• Journal issue: 51
• Pages of publication: 46030
• a: 7.0081 ± 0.0003 Å
• b: 13.8198 ± 0.0007 Å
• c: 14.2897 ± 0.0008 Å
• α: 90°
• β: 99.282 ± 0.005°
• γ: 90°
• Cell volume: 1365.84 ± 0.12 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/c 1
• Hall space group symbol: -I 2yc
• Residual factor for all reflections: 0.0257
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for all reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0268
• Weighted residual factors for all reflections included in the refinement: 0.0267
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0787
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No