Information card for entry 7222354

Structure parameters

• Formula: C72 H86 Cd3 N16 O26 S2
• Calculated formula: C72 H84 Cd3 N16 O26 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: 10.601 ± 0.0017 Å
• b: 17.872 ± 0.003 Å
• c: 21.185 ± 0.004 Å
• α: 90°
• β: 96.196 ± 0.003°
• γ: 90°
• Cell volume: 3990.3 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0666
• Residual factor for significantly intense reflections: 0.0416
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.1185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No