Information card for entry 4506519

Structure parameters

• Formula: C18 H24 Cu N6 O10 S
• Calculated formula: C18 H16 Cu N6 O10 S
• Title of publication: CuIICoordination Polymers Capable of Gelation and Selective SO4‒2Separation
• Authors of publication: Paul, Mithun; Adarsh, N. N.; Dastidar, Parthasarathi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 4135
• a: 6.5115 ± 0.0013 Å
• b: 19.407 ± 0.003 Å
• c: 9.7353 ± 0.0017 Å
• α: 90°
• β: 97.436 ± 0.011°
• γ: 90°
• Cell volume: 1219.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1551
• Weighted residual factors for all reflections included in the refinement: 0.1595
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No