Information card for entry 4506522

Structure parameters

• Formula: C36 H33 Br2 Cu N12 O8
• Calculated formula: C36 H33 Br2 Cu N12 O8
• 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: 22.625 ± 0.005 Å
• b: 9.293 ± 0.002 Å
• c: 21.596 ± 0.007 Å
• α: 90°
• β: 118.573 ± 0.003°
• γ: 90°
• Cell volume: 3987.6 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.061
• Weighted residual factors for significantly intense reflections: 0.1689
• Weighted residual factors for all reflections included in the refinement: 0.2051
• Goodness-of-fit parameter for all reflections included in the refinement: 0.757
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No