Information card for entry 1561410

Structure parameters

• Formula: C11 H3 Cu N0 O5.5
• Calculated formula: C11 H3 Cu O5.5
• Title of publication: Noncentrosymmetric selenide Ba4Ga4GeSe12: Synthesis, structure, and optical properties
• Authors of publication: Yin, Wenlong; Iyer, Abishek K.; Li, Chao; Lin, Xinsong; Yao, Jiyong; Mar, Arthur
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 241
• Pages of publication: 131 - 136
• a: 18.508 ± 0.0017 Å
• b: 18.508 ± 0.0017 Å
• c: 38.802 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11510.8 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 166
• Hermann-Mauguin space group symbol: R -3 m :H
• Hall space group symbol: -R 3 2"
• Residual factor for all reflections: 0.1082
• Residual factor for significantly intense reflections: 0.0613
• Weighted residual factors for significantly intense reflections: 0.1663
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No