Information card for entry 7700053

Structure parameters

• Chemical name: bis-bis(isoquinolin-5-yl)-isophthalate-tetraiodo-di-zinc(ii) acetonitrile solvate solvate solvate tetrahydrofuran solvate solvate solvate
• Formula: C61.8 H48.1 I4 N7.5 O8.7 Zn2
• Calculated formula: C61.744 H48.024 I4 N7.464 O8.704 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: 17.865 ± 0.004 Å
• b: 24.913 ± 0.005 Å
• c: 7.4 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3293.5 ± 1.2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 59
• Hermann-Mauguin space group symbol: P m m n
• Hall space group symbol: -P 2ab 2a
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1312
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.63 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No