Information card for entry 2023017

Structure parameters

• Formula: C66 H44 Cu3 Eu2 N18 O31
• Calculated formula: C66 H42 Cu3 Eu2 N18 O30
• Title of publication: High-pressure study of a 3d–4f heterometallic CuEu–organic skeleton
• Authors of publication: Yang, Ke; Yang, Yuting; Yao, Ziqin; Cheng, Sisi; Cui, Xue; Wang, Xingyi; Han, Yi; Yi, Feiyan; Mo, Guang
• Journal of publication: Acta Crystallographica Section C Structural Chemistry
• Year of publication: 2024
• Journal volume: 80
• Journal issue: 2
• Pages of publication: 49 - 55
• a: 14.0021 ± 0.0003 Å
• b: 14.0021 ± 0.0003 Å
• c: 63.523 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10785.7 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No