Information card for entry 1565283

Structure parameters

• Formula: C36 H38 Br3 Cd N9 O8
• Calculated formula: C36 H38 Br3 Cd N9 O8
• Title of publication: Synthesis, band structure and multi-responsive luminescence sensing behavior of two Cd(II) coordination polymers
• Authors of publication: Xu, Jie; Zhu, Peizhi; Wang, Yue; Zhang, Kou-Lin
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 503
• Pages of publication: 119376
• a: 8.8591 ± 0.0014 Å
• b: 12.524 ± 0.0019 Å
• c: 18.721 ± 0.003 Å
• α: 98.909 ± 0.005°
• β: 93.742 ± 0.005°
• γ: 100.491 ± 0.005°
• Cell volume: 2008.4 ± 0.5 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: 0.0841
• Residual factor for significantly intense reflections: 0.0469
• Weighted residual factors for significantly intense reflections: 0.0939
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No