Information card for entry 1516865

Structure parameters

• Formula: C36 H21 Cd2 N8 O9 S
• Calculated formula: C36 H21 Cd2 N8 O9 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: 10.1091 ± 0.0007 Å
• b: 11.3814 ± 0.0007 Å
• c: 16.0648 ± 0.0011 Å
• α: 105.199 ± 0.001°
• β: 107.543 ± 0.001°
• γ: 91.151 ± 0.001°
• Cell volume: 1690.8 ± 0.2 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: 0.0328
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No