Information card for entry 7245273

Structure parameters

• Formula: C56 H61 Cu N5 O17
• Calculated formula: C56 H61 Cu N5 O17
• Title of publication: Subtle metal(II) effects of 2D coordination networks on SCSC guest exchange
• Authors of publication: Kim, Gyeongwoo; Kim, Gyeongmin; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2022
• a: 20.469 ± 0.002 Å
• b: 12.0889 ± 0.0013 Å
• c: 22.945 ± 0.002 Å
• α: 90°
• β: 114.455 ± 0.001°
• γ: 90°
• Cell volume: 5168.3 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0905
• Residual factor for significantly intense reflections: 0.0671
• Weighted residual factors for significantly intense reflections: 0.1834
• Weighted residual factors for all reflections included in the refinement: 0.2047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No