Information card for entry 4510556

Structure parameters

• Formula: C74 H61 Cd3 N6 O17.5 S2
• Calculated formula: C74 H42 Cd3 N6 O16.5 S2
• Title of publication: Polynuclear CdIIPolymers: Crystal Structures, Topologies, and the Photodegradation for Organic Dye Contaminants
• Authors of publication: Liu, Lu; Ding, Jie; Huang, Chao; Li, Ming; Hou, Hongwei; Fan, Yaoting
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 6
• Pages of publication: 3035
• a: 12.072 ± 0.002 Å
• b: 14.124 ± 0.003 Å
• c: 14.338 ± 0.003 Å
• α: 104.16 ± 0.03°
• β: 104.51 ± 0.03°
• γ: 114.4 ± 0.03°
• Cell volume: 1980.2 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1905
• Weighted residual factors for all reflections included in the refinement: 0.1994
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No