Information card for entry 7216446

Structure parameters

• Formula: C17 H12 Cd Cl N3 O5 S
• Calculated formula: C17 H12 Cd Cl N3 O5 S
• Title of publication: Tuning luminescence via transition metal-directed strategy in coordination polymers
• Authors of publication: Zhao, Fangfang; Dong, Huan; Liu, BeiBei; Zhang, Guangju; Huang, Hui; Hu, Hailiang; Liu, Yang; Kang, Zhenhui
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 21
• Pages of publication: 4422
• a: 10.1145 ± 0.0008 Å
• b: 10.2684 ± 0.0008 Å
• c: 10.8689 ± 0.0009 Å
• α: 74.219 ± 0.001°
• β: 68.085 ± 0.001°
• γ: 64.291 ± 0.001°
• Cell volume: 935.39 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0251
• Residual factor for significantly intense reflections: 0.0241
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No