Information card for entry 1564185

Structure parameters

• Formula: C28 H26 Br6 Cd N8 O12
• Calculated formula: C28 H26 Br6 Cd N8 O12
• SMILES: [Cd]([n]1cn(Cc2ccc(Cn3c[n]([Cd]([OH2])([OH2])(OC(=O)c4c(Br)c(c(Br)c(c4Br)C(=O)O)N)OC(=O)c4c(Br)c(c(Br)c(c4Br)C(=O)O)N)cn3)cc2)nc1)(OC(=O)c1c(Br)c(c(Br)c(c1Br)C(=O)O)N)([OH2])([n]1cn(Cc2ccc(Cn3cncn3)cc2)nc1)(OC(=O)c1c(Br)c(c(Br)c(c1Br)C(=O)O)N)[OH2].O.O.O.O
• Title of publication: Multi-responsive luminescence sensing behaviour of a pair of temperature-dependent 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: 511
• Pages of publication: 119852
• a: 6.0546 ± 0.0003 Å
• b: 14.8826 ± 0.0007 Å
• c: 21.5386 ± 0.0011 Å
• α: 90°
• β: 92.361 ± 0.002°
• γ: 90°
• Cell volume: 1939.16 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1234
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No