Information card for entry 1565284

Structure parameters

• Formula: C18 H16 Br3 Cd N5 O4
• Calculated formula: C18 H16 Br3 Cd N5 O4
• 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: 6.996 ± 0.0008 Å
• b: 17.1381 ± 0.0019 Å
• c: 18.821 ± 0.002 Å
• α: 90°
• β: 92.923 ± 0.003°
• γ: 90°
• Cell volume: 2253.7 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0774
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.248
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No