Information card for entry 1516863

Structure parameters

• Formula: C22 H15 Cd N5 O5 S
• Calculated formula: C22 H15 Cd N5 O5 S
• Title of publication: Effect of organic polycarboxylates on the architectures of cadmium(II) coordination polymers based on dipyrazino[2,3-f:2'3'-h]quino-xaline: Syntheses, crystal structures, and photoluminescence properties
• Authors of publication: Xiu-Li Wang; Yun Qu; Guo-Cheng Liu; Jian Luan; Hong-Yan Lin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 399
• Pages of publication: 105 - 111
• a: 9.412 ± 0.0007 Å
• b: 10.4276 ± 0.0008 Å
• c: 11.2794 ± 0.0009 Å
• α: 69.936 ± 0.001°
• β: 85.741 ± 0.001°
• γ: 85.582 ± 0.001°
• Cell volume: 1035.38 ± 0.14 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0291
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections included in the refinement: 0.0598
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No