Information card for entry 7222355

Structure parameters

• Formula: C86 H80 Cd3 N20 O17 S2
• Calculated formula: C86 H80 Cd3 N20 O17 S2
• Title of publication: Structures and third-order nonlinear optical properties of two three-dimensional Cd(ii) coordination polymers with trinodal (3, 4, 5) and dinodal (4, 5) connected network topologies
• Authors of publication: Lian, Zhaoxun; Jiang, Kai; Lou, Tianjun
• Journal of publication: RSC Adv.
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 101
• Pages of publication: 82781
• a: 37.955 ± 0.01 Å
• b: 10.455 ± 0.005 Å
• c: 24.091 ± 0.005 Å
• α: 90°
• β: 109.55 ± 0.005°
• γ: 90°
• Cell volume: 9009 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.117
• Residual factor for significantly intense reflections: 0.0729
• Weighted residual factors for significantly intense reflections: 0.1934
• Weighted residual factors for all reflections included in the refinement: 0.2213
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No