Information card for entry 7237931

Structure parameters

• Formula: C30 H28 Cu N4 O6 Se
• Calculated formula: C30 H28 Cu N4 O6 Se
• Title of publication: The distinguishing of cis‒trans isomers enabled via dielectric/ferroelectric signal feedback in a supramolecular Cu(1,10-phenanthroline)2SeO4·(diol) system
• Authors of publication: Gao, Ji-Xing; Wang, Zhong-Xia; Tang, Yuan-Yuan; Liu, Yu-Ling; Zhou, Lin; Chen, Xiao-Gang; Zhang, Wan-Ying; Xiong, Ren-Gen
• Journal of publication: Journal of Materials Chemistry C
• Year of publication: 2019
• Journal volume: 7
• Journal issue: 35
• Pages of publication: 11022
• a: 17.32 ± 0.003 Å
• b: 14.524 ± 0.003 Å
• c: 13.424 ± 0.004 Å
• α: 90°
• β: 125.116 ± 0.008°
• γ: 90°
• Cell volume: 2762.3 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0515
• Residual factor for significantly intense reflections: 0.0456
• Weighted residual factors for significantly intense reflections: 0.0967
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No