Information card for entry 1547331

Structure parameters

• Formula: C27 H24 Cu N4 O6 Se
• Calculated formula: C27 H24 Cu N4 O6 Se
• SMILES: [Se](=O)(=O)(O[Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13)[O-].OCC(O)C
• Title of publication: Dielectric and ferroelectric sensing based on molecular recognition in Cu(1,10-phenlothroline)2SeO4.(diol) systems
• Authors of publication: Heng-Yun Ye; Wei-Qiang Liao; Qionghua Zhou; Yi Zhang; Jinlan Wang; Yu-Meng You; Jin-Yun Wang; Zhong-Ning Chen; Peng-Fei Li; Da-Wei Fu; Songping D. Huang; and Ren-Gen Xiong
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 14551
• a: 17.551 ± 0.018 Å
• b: 13.247 ± 0.011 Å
• c: 13.266 ± 0.013 Å
• α: 90°
• β: 123.367 ± 0.012°
• γ: 90°
• Cell volume: 2576 ± 4 ų
• Cell temperature: 253 ± 2 K
• Ambient diffraction temperature: 253 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0622
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.126
• Weighted residual factors for all reflections included in the refinement: 0.1377
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No