Information card for entry 7700054

Structure parameters

• Chemical name: bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) diiodomethane solvate benzene solvate
• Formula: C60 H42 I8 N4 O8 Zn2
• Calculated formula: C60.022 H42.044 I8.044 N4 O8 Zn2
• Title of publication: Stable suprachannels via columnar cyclodimeric ensemble: exchange and matrix of various liquid guests in SCSC fashion
• Authors of publication: Hyun, Soomin; Yang, Lingling; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 17.7316 ± 0.001 Å
• b: 7.4525 ± 0.0004 Å
• c: 24.9626 ± 0.0015 Å
• α: 90°
• β: 93.466 ± 0.004°
• γ: 90°
• Cell volume: 3292.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.1752
• Residual factor for significantly intense reflections: 0.0969
• Weighted residual factors for significantly intense reflections: 0.2413
• Weighted residual factors for all reflections included in the refinement: 0.2865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No