Information card for entry 1547320

Structure parameters

• Formula: C26 H22 Cu N4 O6 Se
• Calculated formula: C26 H22 Cu N4 O6 Se
• SMILES: [Se](=O)(=O)([O-])O[Cu]12([n]3c4c5c(ccc[n]25)ccc4ccc3)[n]2c3c4c(ccc3ccc2)ccc[n]14.OCCO
• 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: 17.934 ± 0.008 Å
• b: 36.37 ± 0.02 Å
• c: 13.179 ± 0.008 Å
• α: 90°
• β: 120.82 ± 0.03°
• γ: 90°
• Cell volume: 7382 ± 7 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 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: 0.1294
• Residual factor for significantly intense reflections: 0.0894
• Weighted residual factors for significantly intense reflections: 0.2069
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No